Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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226 – 240 of 2,269 results

226

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Ethyl 3-mercaptopropionate, 98%

CAS: 5466-06-8 IUPAC Name: ethyl 3-sulfanylpropanoate

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CAS	5466-06-8
IUPAC Name	ethyl 3-sulfanylpropanoate

227

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Pyrrole-2-carboxylic acid, 97%

CAS: 634-97-9 Molecular Formula: C₅H₅NO₂ Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O

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PubChem CID	12473
CAS	634-97-9
Molecular Weight (g/mol)	111.1
ChEBI	CHEBI:36751
MDL Number	MFCD00005219
SMILES	C1=CNC(=C1)C(=O)O
Synonym	pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc
IUPAC Name	1H-pyrrole-2-carboxylic acid
InChI Key	WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Molecular Formula	C₅H₅NO₂

228

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Allyl acetate, 98%

CAS: 591-87-7 MDL Number: MFCD00008721 InChI Key: FWZUNOYOVVKUNF-UHFFFAOYSA-N Synonym: allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i PubChem CID: 11584 IUPAC Name: prop-2-enyl acetate SMILES: CC(=O)OCC=C

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PubChem CID	11584
CAS	591-87-7
MDL Number	MFCD00008721
SMILES	CC(=O)OCC=C
Synonym	allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i
IUPAC Name	prop-2-enyl acetate
InChI Key	FWZUNOYOVVKUNF-UHFFFAOYSA-N

229

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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

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Specifications

PubChem CID	81326
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

230

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Fusaric acid, 99%

CAS: 536-69-6 Molecular Formula: C₁₀H₁₃NO₂ Molecular Weight (g/mol): 179.22 MDL Number: MFCD00006298 InChI Key: DGMPVYSXXIOGJY-UHFFFAOYSA-N Synonym: fusaric acid,5-butylpicolinic acid,fusarinic acid,2-pyridinecarboxylic acid, 5-butyl,5-butyl-2-pyridinecarboxylic acid,picolinic acid, 5-butyl,5-n-butylpyridine-2-carboxylic acid,unii-jwj963070n,5-butylpyridine-3-carboxylic acid,5-butyl-pyridine-2-carboxylic acid PubChem CID: 3442 ChEBI: CHEBI:5199 IUPAC Name: 5-butylpyridine-2-carboxylic acid SMILES: CCCCC1=CN=C(C=C1)C(=O)O

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Specifications

PubChem CID	3442
CAS	536-69-6
Molecular Weight (g/mol)	179.22
ChEBI	CHEBI:5199
MDL Number	MFCD00006298
SMILES	CCCCC1=CN=C(C=C1)C(=O)O
Synonym	fusaric acid,5-butylpicolinic acid,fusarinic acid,2-pyridinecarboxylic acid, 5-butyl,5-butyl-2-pyridinecarboxylic acid,picolinic acid, 5-butyl,5-n-butylpyridine-2-carboxylic acid,unii-jwj963070n,5-butylpyridine-3-carboxylic acid,5-butyl-pyridine-2-carboxylic acid
IUPAC Name	5-butylpyridine-2-carboxylic acid
InChI Key	DGMPVYSXXIOGJY-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₃NO₂

231

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4-Biphenylacetic acid, 98%

CAS: 5728-52-9 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O

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PubChem CID	3332
CAS	5728-52-9
ChEBI	CHEBI:31597
MDL Number	MFCD00004351
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
Synonym	4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid
IUPAC Name	2-(4-phenylphenyl)acetic acid
InChI Key	QRZAKQDHEVVFRX-UHFFFAOYSA-N

232

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Cyclopropylacetic acid, 97%

CAS: 5239-82-7 Molecular Formula: C5H8O22 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00041544 InChI Key: BXXOHRWKRXBZTG-UHFFFAOYSA-N Synonym: cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid PubChem CID: 138440 IUPAC Name: 2-cyclopropylacetic acid SMILES: CN1CCN(C)B1N=S=NB1N(C)CCN1C

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PubChem CID	138440
CAS	5239-82-7
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00041544
SMILES	CN1CCN(C)B1N=S=NB1N(C)CCN1C
Synonym	cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid
IUPAC Name	2-cyclopropylacetic acid
InChI Key	BXXOHRWKRXBZTG-UHFFFAOYSA-N
Molecular Formula	C5H8O22

233

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3-Pyridazinecarboxylic acid, 97%

CAS: 2164-61-6 Molecular Formula: C₅H₄N₂O₂ Molecular Weight (g/mol): 124.1 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O

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PubChem CID	269369
CAS	2164-61-6
Molecular Weight (g/mol)	124.1
SMILES	C1=CC(=NN=C1)C(=O)O
Synonym	3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid;
IUPAC Name	pyridazine-3-carboxylic acid
InChI Key	RUUOPSRRIKJHNH-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₂O₂

234

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3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid, 95%

CAS: 175277-11-9 Molecular Formula: C₉H₁₄N₂O₂ Molecular Weight (g/mol): 182.22 InChI Key: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonym: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid PubChem CID: 720529 IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C

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PubChem CID	720529
CAS	175277-11-9
Molecular Weight (g/mol)	182.22
SMILES	CC(C)(C)C1=NN(C(=C1)C(=O)O)C
Synonym	3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid
IUPAC Name	5-tert-butyl-2-methylpyrazole-3-carboxylic acid
InChI Key	SFSXXMXHJOSBAZ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₄N₂O₂

235

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5-Norbornene-2-carboxylic acid, 98%, mixture of isomers, Thermo Scientific Chemicals

CAS: 120-74-1 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.16 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

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PubChem CID	78949
CAS	120-74-1
Molecular Weight (g/mol)	138.16
SMILES	C1C2CC(C1C=C2)C(=O)O
Synonym	5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid
IUPAC Name	bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
InChI Key	FYGUSUBEMUKACF-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

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4-Cyanophenylacetic acid, 97%

CAS: 5462-71-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD06798066 InChI Key: WEBXRQONNWEETE-UHFFFAOYSA-N Synonym: 2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl PubChem CID: 79587 IUPAC Name: 2-(4-cyanophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C#N

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PubChem CID	79587
CAS	5462-71-5
Molecular Weight (g/mol)	161.16
MDL Number	MFCD06798066
SMILES	OC(=O)CC1=CC=C(C=C1)C#N
Synonym	2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl
IUPAC Name	2-(4-cyanophenyl)acetic acid
InChI Key	WEBXRQONNWEETE-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

237

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Ethyl 3-methyl-2-oxobutyrate, 95%

CAS: 20201-24-5 Molecular Formula: C₇H₁₂O₃ Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009122 InChI Key: CKTYYUQUWFEUCO-UHFFFAOYSA-N Synonym: ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate PubChem CID: 88406 IUPAC Name: ethyl 3-methyl-2-oxobutanoate SMILES: CCOC(=O)C(=O)C(C)C

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PubChem CID	88406
CAS	20201-24-5
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009122
SMILES	CCOC(=O)C(=O)C(C)C
Synonym	ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate
IUPAC Name	ethyl 3-methyl-2-oxobutanoate
InChI Key	CKTYYUQUWFEUCO-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₃

238

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2-Propylpentanoic acid, 99%

CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O

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PubChem CID	3121
CAS	99-66-1
Molecular Weight (g/mol)	144.21
ChEBI	CHEBI:39867
MDL Number	MFCD00002672
SMILES	CCCC(CCC)C(O)=O
Synonym	valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl
IUPAC Name	2-propylpentanoic acid
InChI Key	NIJJYAXOARWZEE-UHFFFAOYSA-N
Molecular Formula	C8H16O2

239

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O

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Specifications

PubChem CID	587721
CAS	5744-56-9
Molecular Weight (g/mol)	140.14
MDL Number	MFCD00159636
SMILES	CN1N=C(C)C=C1C(O)=O
Synonym	1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl
IUPAC Name	2,5-dimethylpyrazole-3-carboxylic acid
InChI Key	QRWZFUBHOQWUGH-UHFFFAOYSA-N
Molecular Formula	C6H8N2O2

240

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

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Specifications

PubChem CID	459456
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

Monocarboxylic acids and derivatives

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