Organic compounds
Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
Acetic acid, glacial, ACS, 99.7+%, Thermo Scientific Chemicals
CAS: 64-19-7 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00036152 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N Synonym: ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure PubChem CID: 176 ChEBI: CHEBI:15366 IUPAC Name: acetic acid SMILES: CC(O)=O
PubChem CID | 176 |
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CAS | 64-19-7 |
Molecular Weight (g/mol) | 60.05 |
ChEBI | CHEBI:15366 |
MDL Number | MFCD00036152 |
SMILES | CC(O)=O |
Synonym | ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure |
IUPAC Name | acetic acid |
InChI Key | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
Molecular Formula | C2H4O2 |
Acetic acid, glacial, 99+%, Thermo Scientific Chemicals
CAS: 64-19-7 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00036152 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N Synonym: ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure PubChem CID: 176 ChEBI: CHEBI:15366 IUPAC Name: acetic acid SMILES: CC(O)=O
PubChem CID | 176 |
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CAS | 64-19-7 |
Molecular Weight (g/mol) | 60.05 |
ChEBI | CHEBI:15366 |
MDL Number | MFCD00036152 |
SMILES | CC(O)=O |
Synonym | ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure |
IUPAC Name | acetic acid |
InChI Key | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
Molecular Formula | C2H4O2 |
Peroxyacetic acid, ca. 35wt.% sol. in diluted acetic acid, stabilized, Thermo Scientific Chemicals
CAS: 79-21-0 InChI Key: KFSLWBXXFJQRDL-UHFFFAOYSA-N Synonym: peracetic acid,peroxyacetic acid,estosteril,acetic peroxide,peroxoacetic acid,monoperacetic acid,osbon ac,acetyl hydroperoxide,proxitane 4002,desoxon 1 PubChem CID: 6585 IUPAC Name: ethaneperoxoic acid SMILES: CC(=O)OO
PubChem CID | 6585 |
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CAS | 79-21-0 |
SMILES | CC(=O)OO |
Synonym | peracetic acid,peroxyacetic acid,estosteril,acetic peroxide,peroxoacetic acid,monoperacetic acid,osbon ac,acetyl hydroperoxide,proxitane 4002,desoxon 1 |
IUPAC Name | ethaneperoxoic acid |
InChI Key | KFSLWBXXFJQRDL-UHFFFAOYSA-N |
Indole-3-acetic acid, 98+%, Thermo Scientific Chemicals
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
PubChem CID | 802 |
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CAS | 87-51-4 |
Molecular Weight (g/mol) | 175.19 |
ChEBI | CHEBI:16411 |
MDL Number | MFCD00005636 |
SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
(Phenylthio)acetic acid, 97%, Thermo Scientific Chemicals
CAS: 103-04-8 Molecular Formula: C8H7O2S Molecular Weight (g/mol): 167.20 MDL Number: MFCD00004355 InChI Key: MOTOSAGBNXXRRE-UHFFFAOYSA-M Synonym: phenylthio acetic acid,thiophenoxyacetic acid,2-phenylthio acetic acid,phenylthioglycolic acid,phenylmercaptoacetic acid,2-phenylsulfanyl acetic acid,phenylsulfanyl acetic acid,acetic acid, phenylthio,phenylmercapto acetic acid,carboxymethyl phenyl sulfide PubChem CID: 59541 IUPAC Name: 2-phenylsulfanylacetic acid SMILES: [O-]C(=O)CSC1=CC=CC=C1
PubChem CID | 59541 |
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CAS | 103-04-8 |
Molecular Weight (g/mol) | 167.20 |
MDL Number | MFCD00004355 |
SMILES | [O-]C(=O)CSC1=CC=CC=C1 |
Synonym | phenylthio acetic acid,thiophenoxyacetic acid,2-phenylthio acetic acid,phenylthioglycolic acid,phenylmercaptoacetic acid,2-phenylsulfanyl acetic acid,phenylsulfanyl acetic acid,acetic acid, phenylthio,phenylmercapto acetic acid,carboxymethyl phenyl sulfide |
IUPAC Name | 2-phenylsulfanylacetic acid |
InChI Key | MOTOSAGBNXXRRE-UHFFFAOYSA-M |
Molecular Formula | C8H7O2S |
(Phenylsulfonyl)acetic acid, 97%, Thermo Scientific Chemicals
CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
PubChem CID | 59543 |
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CAS | 3959-23-7 |
Molecular Weight (g/mol) | 200.208 |
MDL Number | MFCD00025042 |
SMILES | C1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
Synonym | phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid |
IUPAC Name | 2-(benzenesulfonyl)acetic acid |
InChI Key | YTEFAALYDTWTLB-UHFFFAOYSA-N |
Molecular Formula | C8H8O4S |
2-Cyclopentene-1-acetic acid, tech. 90%, remainder mainly 3-cyclopentene-1-acetic acid, Thermo Scientific Chemicals
CAS: 13668-61-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001400 InChI Key: NNRZTJAACCRFRV-UHFFFAOYSA-N Synonym: 2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid PubChem CID: 96216 IUPAC Name: 2-cyclopent-2-en-1-ylacetic acid SMILES: C1CC(C=C1)CC(=O)O
PubChem CID | 96216 |
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CAS | 13668-61-6 |
Molecular Weight (g/mol) | 126.155 |
MDL Number | MFCD00001400 |
SMILES | C1CC(C=C1)CC(=O)O |
Synonym | 2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid |
IUPAC Name | 2-cyclopent-2-en-1-ylacetic acid |
InChI Key | NNRZTJAACCRFRV-UHFFFAOYSA-N |
Molecular Formula | C7H10O2 |
1H-Indole-3-acetic acid, 98%, Thermo Scientific Chemicals
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
PubChem CID | 802 |
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CAS | 87-51-4 |
Molecular Weight (g/mol) | 175.19 |
ChEBI | CHEBI:16411 |
MDL Number | MFCD00005636 |
SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
Rhodanine-3-acetic acid, 98%, Thermo Scientific Chemicals
CAS: 5718-83-2 Molecular Formula: C5H5NO3S2 Molecular Weight (g/mol): 191.22 MDL Number: MFCD00005491 InChI Key: JGRMXPSUZIYDRR-UHFFFAOYSA-N Synonym: rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid PubChem CID: 79793 IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid SMILES: OC(=O)CN1C(=O)CSC1=S
PubChem CID | 79793 |
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CAS | 5718-83-2 |
Molecular Weight (g/mol) | 191.22 |
MDL Number | MFCD00005491 |
SMILES | OC(=O)CN1C(=O)CSC1=S |
Synonym | rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid |
IUPAC Name | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
InChI Key | JGRMXPSUZIYDRR-UHFFFAOYSA-N |
Molecular Formula | C5H5NO3S2 |
7-Methoxycoumarin-4-acetic acid, Thermo Scientific Chemicals
CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
PubChem CID | 342221 |
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CAS | 62935-72-2 |
Molecular Weight (g/mol) | 234.21 |
ChEBI | CHEBI:51666 |
MDL Number | MFCD00009774 |
SMILES | COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1 |
Synonym | 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh |
IUPAC Name | 2-(7-methoxy-2-oxochromen-4-yl)acetic acid |
InChI Key | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
Molecular Formula | C12H10O5 |
(4-Fluorophenylthio)acetic acid, 97%, Thermo Scientific Chemicals
CAS: 332-51-4 Molecular Formula: C8H7FO2S Molecular Weight (g/mol): 186.2 MDL Number: MFCD00219825 InChI Key: HQEROVXUKINLPI-UHFFFAOYSA-N Synonym: 4-fluorophenylthio acetic acid,2-4-fluorophenylthio acetic acid,2-4-fluorophenyl thio acetic acid,4-fluorophenyl thio acetic acid,4-fluorophenyl sulfanyl acetic acid,maybridge1_004918,acmc-20apn5,4-fluoro-phenylsulfanyl-acetic acid,2-4-fluorophenyl sulfanylacetic acid PubChem CID: 736197 IUPAC Name: 2-(4-fluorophenyl)sulfanylacetic acid SMILES: C1=CC(=CC=C1F)SCC(=O)O
PubChem CID | 736197 |
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CAS | 332-51-4 |
Molecular Weight (g/mol) | 186.2 |
MDL Number | MFCD00219825 |
SMILES | C1=CC(=CC=C1F)SCC(=O)O |
Synonym | 4-fluorophenylthio acetic acid,2-4-fluorophenylthio acetic acid,2-4-fluorophenyl thio acetic acid,4-fluorophenyl thio acetic acid,4-fluorophenyl sulfanyl acetic acid,maybridge1_004918,acmc-20apn5,4-fluoro-phenylsulfanyl-acetic acid,2-4-fluorophenyl sulfanylacetic acid |
IUPAC Name | 2-(4-fluorophenyl)sulfanylacetic acid |
InChI Key | HQEROVXUKINLPI-UHFFFAOYSA-N |
Molecular Formula | C8H7FO2S |
(4-Chlorophenylthio)acetic acid, 98%, Thermo Scientific Chemicals
CAS: 3405-88-7 Molecular Formula: C8H7ClO2S Molecular Weight (g/mol): 202.652 MDL Number: MFCD00021762 InChI Key: YPKLXLYGMAWXDO-UHFFFAOYSA-N Synonym: 4-chlorophenylthio acetic acid,2-4-chlorophenyl thio acetic acid,4-chlorophenyl thio acetic acid,p-chlorophenylmercaptoacetic acid,2-4-chlorophenyl sulfanyl acetic acid,2-p-chlorophenylthio acetic acid,p-chlorophenylthioacetic acid,4-chlorophenyl sulfanyl acetic acid,acetic acid, p-chlorophenyl thio,acetic acid, 4-chlorophenyl thio PubChem CID: 55471 IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid SMILES: C1=CC(=CC=C1SCC(=O)O)Cl
PubChem CID | 55471 |
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CAS | 3405-88-7 |
Molecular Weight (g/mol) | 202.652 |
MDL Number | MFCD00021762 |
SMILES | C1=CC(=CC=C1SCC(=O)O)Cl |
Synonym | 4-chlorophenylthio acetic acid,2-4-chlorophenyl thio acetic acid,4-chlorophenyl thio acetic acid,p-chlorophenylmercaptoacetic acid,2-4-chlorophenyl sulfanyl acetic acid,2-p-chlorophenylthio acetic acid,p-chlorophenylthioacetic acid,4-chlorophenyl sulfanyl acetic acid,acetic acid, p-chlorophenyl thio,acetic acid, 4-chlorophenyl thio |
IUPAC Name | 2-(4-chlorophenyl)sulfanylacetic acid |
InChI Key | YPKLXLYGMAWXDO-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO2S |
Phthalide-3-acetic acid, 98+%, Thermo Scientific Chemicals
CAS: 4743-58-2 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00051729 InChI Key: FJWKEFBYCZSVNZ-UHFFFAOYSA-N Synonym: phthalide-3-acetic acid,3-oxo-1,3-dihydro-2-benzofuran-1-yl acetic acid,2-3-oxo-1,3-dihydroisobenzofuran-1-yl acetic acid,3-oxo-1,3-dihydro-isobenzofuran-1-yl-acetic acid,2-3-oxo-1,3-dihydro-2-benzofuran-1-yl acetic acid,3-oxo-1h-2-benzofuran-1-yl acetic acid,2-3-oxo-1h-2-benzofuran-1-yl acetic acid,2-3-oxohydroisobenzofuranyl acetic acid,acmc-20ajvy,1,3-dihydro-3-oxo-1-isobenzofuranacetic acid PubChem CID: 589730 IUPAC Name: 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid SMILES: C1=CC=C2C(=C1)C(OC2=O)CC(=O)O
PubChem CID | 589730 |
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CAS | 4743-58-2 |
Molecular Weight (g/mol) | 192.17 |
MDL Number | MFCD00051729 |
SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)O |
Synonym | phthalide-3-acetic acid,3-oxo-1,3-dihydro-2-benzofuran-1-yl acetic acid,2-3-oxo-1,3-dihydroisobenzofuran-1-yl acetic acid,3-oxo-1,3-dihydro-isobenzofuran-1-yl-acetic acid,2-3-oxo-1,3-dihydro-2-benzofuran-1-yl acetic acid,3-oxo-1h-2-benzofuran-1-yl acetic acid,2-3-oxo-1h-2-benzofuran-1-yl acetic acid,2-3-oxohydroisobenzofuranyl acetic acid,acmc-20ajvy,1,3-dihydro-3-oxo-1-isobenzofuranacetic acid |
IUPAC Name | 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid |
InChI Key | FJWKEFBYCZSVNZ-UHFFFAOYSA-N |
Molecular Formula | C10H8O4 |
(BOC-aminooxy)acetic acid, 98%, Thermo Scientific Chemicals
CAS: 42989-85-5 Molecular Formula: C7H13NO5 Molecular Weight (g/mol): 191.19 MDL Number: MFCD01632027 InChI Key: QBXODCKYUZNZCY-UHFFFAOYSA-N Synonym: boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid PubChem CID: 2755974 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid SMILES: CC(C)(C)OC(=O)NOCC(=O)O
PubChem CID | 2755974 |
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CAS | 42989-85-5 |
Molecular Weight (g/mol) | 191.19 |
MDL Number | MFCD01632027 |
SMILES | CC(C)(C)OC(=O)NOCC(=O)O |
Synonym | boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid |
IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid |
InChI Key | QBXODCKYUZNZCY-UHFFFAOYSA-N |
Molecular Formula | C7H13NO5 |
Theophylline-7-acetic acid, 98%, Thermo Scientific Chemicals
CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
PubChem CID | 69550 |
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CAS | 652-37-9 |
Molecular Weight (g/mol) | 260.19 |
MDL Number | MFCD00022832 |
SMILES | [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O |
Synonym | acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid |
IUPAC Name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid |
InChI Key | MSFVZSOKOXZSME-UHFFFAOYSA-M |
Molecular Formula | C9H9N4NaO4 |