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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406 – 420 of 2,269 results

406

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Ethyl heptanoate, 98+%

CAS: 106-30-9 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00009538 InChI Key: TVQGDYNRXLTQAP-UHFFFAOYSA-N Synonym: ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate PubChem CID: 7797 ChEBI: CHEBI:86618 IUPAC Name: ethyl heptanoate SMILES: CCCCCCC(=O)OCC

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PubChem CID	7797
CAS	106-30-9
Molecular Weight (g/mol)	158.24
ChEBI	CHEBI:86618
MDL Number	MFCD00009538
SMILES	CCCCCCC(=O)OCC
Synonym	ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate
IUPAC Name	ethyl heptanoate
InChI Key	TVQGDYNRXLTQAP-UHFFFAOYSA-N
Molecular Formula	C9H18O2

407

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Propyl propionate, 98+%

CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC

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PubChem CID	7803
CAS	106-36-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009373
SMILES	CCCOC(=O)CC
Synonym	propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester
IUPAC Name	propyl propanoate
InChI Key	MCSINKKTEDDPNK-UHFFFAOYSA-N
Molecular Formula	C6H12O2

408

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Gallic acid ethyl ester, 99%

CAS: 831-61-8 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00016430 InChI Key: VFPFQHQNJCMNBZ-UHFFFAOYSA-N Synonym: ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 PubChem CID: 13250 ChEBI: CHEBI:87247 IUPAC Name: ethyl 3,4,5-trihydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O

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PubChem CID	13250
CAS	831-61-8
Molecular Weight (g/mol)	198.174
ChEBI	CHEBI:87247
MDL Number	MFCD00016430
SMILES	CCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48
IUPAC Name	ethyl 3,4,5-trihydroxybenzoate
InChI Key	VFPFQHQNJCMNBZ-UHFFFAOYSA-N
Molecular Formula	C9H10O5

409

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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

410

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Ethyl 2-methylbutyrate, 99%

CAS: 7452-79-1 Molecular Formula: C₇H₁₄O₂ Molecular Weight (g/mol): 130.19 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC

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PubChem CID	24020
CAS	7452-79-1
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00012217
SMILES	CCC(C)C(=O)OCC
Synonym	ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci
IUPAC Name	ethyl 2-methylbutanoate
InChI Key	HCRBXQFHJMCTLF-UHFFFAOYSA-N
Molecular Formula	C₇H₁₄O₂

411

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n-Butyl lactate, 99%

CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O

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PubChem CID	8738
CAS	138-22-7
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00004519
SMILES	CCCCOC(=O)C(C)O
Synonym	butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205
IUPAC Name	butyl 2-hydroxypropanoate
InChI Key	MRABAEUHTLLEML-UHFFFAOYNA-N
Molecular Formula	C7H14O3

412

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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

413

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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

414

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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

415

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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

416

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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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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

417

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Isovaleric acid, 99%

CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O

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PubChem CID	10430
CAS	503-74-2
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:28484
MDL Number	MFCD00002726
SMILES	CC(C)CC(O)=O
Synonym	isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid
IUPAC Name	3-methylbutanoic acid
InChI Key	GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Formula	C5H10O2

418

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Butyl formate, 97%

CAS: 592-84-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00003296 InChI Key: NMJJFJNHVMGPGM-UHFFFAOYSA-N Synonym: n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech PubChem CID: 11614 IUPAC Name: butyl formate SMILES: CCCCOC=O

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PubChem CID	11614
CAS	592-84-7
Molecular Weight (g/mol)	102.13
MDL Number	MFCD00003296
SMILES	CCCCOC=O
Synonym	n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech
IUPAC Name	butyl formate
InChI Key	NMJJFJNHVMGPGM-UHFFFAOYSA-N
Molecular Formula	C5H10O2

419

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4-Methylvaleric acid, 99%

CAS: 646-07-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002803 InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N Synonym: 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid PubChem CID: 12587 ChEBI: CHEBI:74903 IUPAC Name: 4-methylpentanoic acid SMILES: CC(C)CCC(=O)O

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Specifications

PubChem CID	12587
CAS	646-07-1
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:74903
MDL Number	MFCD00002803
SMILES	CC(C)CCC(=O)O
Synonym	4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid
IUPAC Name	4-methylpentanoic acid
InChI Key	FGKJLKRYENPLQH-UHFFFAOYSA-N
Molecular Formula	C6H12O2

420

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Cyclopropanecarboxylic acid, 98%

CAS: 1759-53-1 Molecular Formula: C₄H₆O₂ Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O

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Specifications

PubChem CID	15655
CAS	1759-53-1
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:23500
MDL Number	MFCD00001287
SMILES	C1CC1C(=O)O
Synonym	carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid
IUPAC Name	cyclopropanecarboxylic acid
InChI Key	YMGUBTXCNDTFJI-UHFFFAOYSA-N
Molecular Formula	C₄H₆O₂

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