
Carboxylic acids and derivatives















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Isopropyl acetate, 99+%, for analysis
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID | 7915 |
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CAS | 108-21-4 |
Molecular Weight (g/mol) | 102.13 |
MDL Number | MFCD00008877 |
SMILES | CC(C)OC(=O)C |
Synonym | isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester |
IUPAC Name | propan-2-yl acetate |
InChI Key | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
Molecular Formula | C5H10O2 |
4'-Iodoacetanilide, 97%
CAS: 622-50-4 Molecular Formula: C8H8INO Molecular Weight (g/mol): 261.06 MDL Number: MFCD00016352 InChI Key: SIULLDWIXYYVCU-UHFFFAOYSA-N Synonym: n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 PubChem CID: 12147 IUPAC Name: N-(4-iodophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)I

PubChem CID | 12147 |
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CAS | 622-50-4 |
Molecular Weight (g/mol) | 261.06 |
MDL Number | MFCD00016352 |
SMILES | CC(=O)NC1=CC=C(C=C1)I |
Synonym | n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 |
IUPAC Name | N-(4-iodophenyl)acetamide |
InChI Key | SIULLDWIXYYVCU-UHFFFAOYSA-N |
Molecular Formula | C8H8INO |
Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 6924-66-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

PubChem CID | 776833 |
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CAS | 6924-66-9 |
Molecular Weight (g/mol) | 174.16 |
MDL Number | MFCD02854494 |
SMILES | C1=CC(=C2C(=C1)N=CC=N2)C(=O)O |
Synonym | 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid |
IUPAC Name | quinoxaline-5-carboxylic acid |
InChI Key | QLZNISOPACYKOR-UHFFFAOYSA-N |
Molecular Formula | C9H6N2O2 |
Benzothiazole-6-carboxylic acid, 96%
CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1

PubChem CID | 601670 |
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CAS | 3622-35-3 |
Molecular Weight (g/mol) | 179.19 |
MDL Number | MFCD00111651 |
SMILES | OC(=O)C1=CC=C2N=CSC2=C1 |
Synonym | benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 |
IUPAC Name | 1,3-benzothiazole-6-carboxylic acid |
InChI Key | DMPZJACLHDWUFS-UHFFFAOYSA-N |
Molecular Formula | C8H5NO2S |
1-Methylcyclopropanecarboxylic acid, 98%
CAS: 6914-76-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001290 InChI Key: DIZKLZKLNKQFGB-UHFFFAOYSA-N Synonym: 1-methylcyclopropanecarboxylic acid,1-methyl-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-methyl,cyclopropanecarboxylicacid, 1-methyl,pubchem16037,1-methylcyclopropanoic acid,acmc-209o6g,d07fpq,1-carboxy-1-methylcyclopropane,dizklzklnkqfgb-uhfffaoysa PubChem CID: 81326 IUPAC Name: 1-methylcyclopropane-1-carboxylic acid SMILES: CC1(CC1)C(=O)O

PubChem CID | 81326 |
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CAS | 6914-76-7 |
Molecular Weight (g/mol) | 100.12 |
MDL Number | MFCD00001290 |
SMILES | CC1(CC1)C(=O)O |
Synonym | 1-methylcyclopropanecarboxylic acid,1-methyl-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-methyl,cyclopropanecarboxylicacid, 1-methyl,pubchem16037,1-methylcyclopropanoic acid,acmc-209o6g,d07fpq,1-carboxy-1-methylcyclopropane,dizklzklnkqfgb-uhfffaoysa |
IUPAC Name | 1-methylcyclopropane-1-carboxylic acid |
InChI Key | DIZKLZKLNKQFGB-UHFFFAOYSA-N |
Molecular Formula | C5H8O2 |
Methyl methoxyacetate, 99%
CAS: 6290-49-9 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00008451 InChI Key: QRMHDGWGLNLHMN-UHFFFAOYSA-N Synonym: methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate PubChem CID: 80507 ChEBI: CHEBI:34841 IUPAC Name: methyl 2-methoxyacetate SMILES: COCC(=O)OC

PubChem CID | 80507 |
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CAS | 6290-49-9 |
Molecular Weight (g/mol) | 104.11 |
ChEBI | CHEBI:34841 |
MDL Number | MFCD00008451 |
SMILES | COCC(=O)OC |
Synonym | methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate |
IUPAC Name | methyl 2-methoxyacetate |
InChI Key | QRMHDGWGLNLHMN-UHFFFAOYSA-N |
Molecular Formula | C4H8O3 |
2,2,2-Trifluoroethyl methacrylate, 99%, stabilized, Thermo Scientific Chemicals
CAS: 352-87-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00013576,MFCD00274739 InChI Key: QTKPMCIBUROOGY-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl methacrylate,trifluoroethyl methacrylate,methacrylic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylmethacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester,2-methyl-acrylic acid 2,2,2-trifluoro-ethyl ester,2-propenoic acid, 2-methyl-, trifluoroethyl ester,2-methyl-2-propenoic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl m,acmc-1af8z PubChem CID: 9608 IUPAC Name: 2,2,2-trifluoroethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(F)(F)F

PubChem CID | 9608 |
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CAS | 352-87-4 |
Molecular Weight (g/mol) | 168.12 |
MDL Number | MFCD00013576,MFCD00274739 |
SMILES | CC(=C)C(=O)OCC(F)(F)F |
Synonym | 2,2,2-trifluoroethyl methacrylate,trifluoroethyl methacrylate,methacrylic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylmethacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester,2-methyl-acrylic acid 2,2,2-trifluoro-ethyl ester,2-propenoic acid, 2-methyl-, trifluoroethyl ester,2-methyl-2-propenoic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl m,acmc-1af8z |
IUPAC Name | 2,2,2-trifluoroethyl 2-methylprop-2-enoate |
InChI Key | QTKPMCIBUROOGY-UHFFFAOYSA-N |
Molecular Formula | C6H7F3O2 |
2-(3-Methoxyallylidene)malonic acid dimethyl ester, 95%
CAS: 41530-32-9 Molecular Formula: C9H12O5 Molecular Weight (g/mol): 200.19 InChI Key: NOBNTZJTOBIOHL-GQCTYLIASA-N Synonym: 2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate # PubChem CID: 5374172 IUPAC Name: dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate SMILES: COC=CC=C(C(=O)OC)C(=O)OC

PubChem CID | 5374172 |
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CAS | 41530-32-9 |
Molecular Weight (g/mol) | 200.19 |
SMILES | COC=CC=C(C(=O)OC)C(=O)OC |
Synonym | 2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate # |
IUPAC Name | dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate |
InChI Key | NOBNTZJTOBIOHL-GQCTYLIASA-N |
Molecular Formula | C9H12O5 |
1H-Benzimidazole-5-carboxylic acid, 98%
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 3H-benzimidazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1

PubChem CID | 459456 |
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CAS | 15788-16-6 |
Molecular Weight (g/mol) | 162.15 |
MDL Number | MFCD00011555 |
SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
IUPAC Name | 3H-benzimidazole-5-carboxylic acid |
InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
Molecular Formula | C8H6N2O2 |
Diethyl acetylenedicarboxylate, 97%
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.17 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC

PubChem CID | 69803 |
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CAS | 762-21-0 |
Molecular Weight (g/mol) | 170.17 |
MDL Number | MFCD00009186 |
SMILES | CCOC(=O)C#CC(=O)OCC |
Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
IUPAC Name | diethyl but-2-ynedioate |
InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
Molecular Formula | C8H10O4 |
(S)-(+)-2-Methylbutyric acid, 98%
CAS: 1730-91-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00063166 InChI Key: WLAMNBDJUVNPJU-BYPYZUCNSA-N Synonym: s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid PubChem CID: 448893 ChEBI: CHEBI:38655 IUPAC Name: (2S)-2-methylbutanoic acid SMILES: CCC(C)C(=O)O

PubChem CID | 448893 |
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CAS | 1730-91-2 |
Molecular Weight (g/mol) | 102.13 |
ChEBI | CHEBI:38655 |
MDL Number | MFCD00063166 |
SMILES | CCC(C)C(=O)O |
Synonym | s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid |
IUPAC Name | (2S)-2-methylbutanoic acid |
InChI Key | WLAMNBDJUVNPJU-BYPYZUCNSA-N |
Molecular Formula | C5H10O2 |
trans-Methyl crotonate, 96%
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 SMILES: COC(=O)\C=C\C

PubChem CID | 638132 |
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CAS | 623-43-8 |
Molecular Weight (g/mol) | 100.12 |
MDL Number | MFCD00009287 |
SMILES | COC(=O)\C=C\C |
Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
Molecular Formula | C5H8O2 |
Ethyl caproate, 99+%
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC

PubChem CID | 31265 |
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CAS | 123-66-0 |
Molecular Weight (g/mol) | 144.21 |
ChEBI | CHEBI:86055 |
MDL Number | MFCD00009511 |
SMILES | CCCCCC(=O)OCC |
Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
IUPAC Name | ethyl hexanoate |
InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
Molecular Formula | C8H16O2 |
Ethyl caprate, 99+%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC

PubChem CID | 8048 |
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CAS | 110-38-3 |
Molecular Weight (g/mol) | 200.32 |
ChEBI | CHEBI:87430 |
MDL Number | MFCD00009581 |
SMILES | CCCCCCCCCC(=O)OCC |
Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
IUPAC Name | ethyl decanoate |
InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
Molecular Formula | C12H24O2 |
4-Methoxybenzamide, 97%
CAS: 3424-93-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00007995 InChI Key: GUCPYIYFQVTFSI-UHFFFAOYSA-N Synonym: p-anisamide,p-methoxybenzamide,benzamide, 4-methoxy,4-methoxy benzamide,p-methyoxybenzamide,unii-z85fx3977e,4-methoxy-benzamide,4-anisamide,acmc-1cjjo,4-methoxylbenzamide PubChem CID: 76959 IUPAC Name: 4-methoxybenzamide SMILES: COC1=CC=C(C=C1)C(=O)N

PubChem CID | 76959 |
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CAS | 3424-93-9 |
Molecular Weight (g/mol) | 151.16 |
MDL Number | MFCD00007995 |
SMILES | COC1=CC=C(C=C1)C(=O)N |
Synonym | p-anisamide,p-methoxybenzamide,benzamide, 4-methoxy,4-methoxy benzamide,p-methyoxybenzamide,unii-z85fx3977e,4-methoxy-benzamide,4-anisamide,acmc-1cjjo,4-methoxylbenzamide |
IUPAC Name | 4-methoxybenzamide |
InChI Key | GUCPYIYFQVTFSI-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |