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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286 – 300 of 2,269 results

286

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3-(3-Fluorophenyl)propionic acid, 97%

CAS: 458-45-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310821 InChI Key: UBLMRADOKLXLCD-UHFFFAOYSA-N PubChem CID: 2737489 IUPAC Name: 3-(3-fluorophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)F)CCC(=O)O

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Specifications

PubChem CID	2737489
CAS	458-45-7
Molecular Weight (g/mol)	168.167
MDL Number	MFCD01310821
SMILES	C1=CC(=CC(=C1)F)CCC(=O)O
IUPAC Name	3-(3-fluorophenyl)propanoic acid
InChI Key	UBLMRADOKLXLCD-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

287

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n-Propyl decanoate, 98%

CAS: 30673-60-0 Molecular Formula: C13H26O2 Molecular Weight (g/mol): 214.349 MDL Number: MFCD00056329 InChI Key: OVFMRFMJVFDSAA-UHFFFAOYSA-N Synonym: n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate PubChem CID: 121739 ChEBI: CHEBI:86973 IUPAC Name: propyl decanoate SMILES: CCCCCCCCCC(=O)OCCC

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PubChem CID	121739
CAS	30673-60-0
Molecular Weight (g/mol)	214.349
ChEBI	CHEBI:86973
MDL Number	MFCD00056329
SMILES	CCCCCCCCCC(=O)OCCC
Synonym	n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate
IUPAC Name	propyl decanoate
InChI Key	OVFMRFMJVFDSAA-UHFFFAOYSA-N
Molecular Formula	C13H26O2

288

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Ethyl tridecanoate, 97%

CAS: 28267-29-0 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00008978 InChI Key: QJYYMNOTJXIOBP-UHFFFAOYSA-N Synonym: tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester PubChem CID: 119908 IUPAC Name: ethyl tridecanoate SMILES: CCCCCCCCCCCCC(=O)OCC

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PubChem CID	119908
CAS	28267-29-0
Molecular Weight (g/mol)	242.403
MDL Number	MFCD00008978
SMILES	CCCCCCCCCCCCC(=O)OCC
Synonym	tridecanoic acid ethyl ester,tridecanoic acid, ethyl ester,ethyltridecanoate,ethyl=tridecanoate,tridecanoic acid, ethylester,acmc-1cr51,ethyl tridecanoate,n-tridecanoic acid ethyl ester
IUPAC Name	ethyl tridecanoate
InChI Key	QJYYMNOTJXIOBP-UHFFFAOYSA-N
Molecular Formula	C15H30O2

289

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Ethyl 2-methyl-4-pentenoate, 98%

CAS: 53399-81-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00010235 InChI Key: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonym: ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate PubChem CID: 62024 IUPAC Name: ethyl 2-methylpent-4-enoate SMILES: CCOC(=O)C(C)CC=C

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PubChem CID	62024
CAS	53399-81-8
Molecular Weight (g/mol)	142.20
MDL Number	MFCD00010235
SMILES	CCOC(=O)C(C)CC=C
Synonym	ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate
IUPAC Name	ethyl 2-methylpent-4-enoate
InChI Key	BDBGKYIBDXAVMX-UHFFFAOYNA-N
Molecular Formula	C8H14O2

290

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2-Methylcyclopropanecarboxylic acid, cis + trans, 96%

CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O

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PubChem CID	99873
CAS	29555-02-0
Molecular Weight (g/mol)	99.11
MDL Number	MFCD00001293
SMILES	C[C@H]1C[C@H]1C([O-])=O
Synonym	2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl
IUPAC Name	2-methylcyclopropane-1-carboxylic acid
InChI Key	AYEGPMGNMOIHDL-IUYQGCFVSA-M
Molecular Formula	C5H7O2

291

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1-Methylcyclohexanecarboxylic acid, 99%

CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O

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PubChem CID	70744
CAS	1123-25-7
Molecular Weight (g/mol)	142.198
MDL Number	MFCD00001463
SMILES	CC1(CCCCC1)C(=O)O
Synonym	1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference
IUPAC Name	1-methylcyclohexane-1-carboxylic acid
InChI Key	REHQLKUNRPCYEW-UHFFFAOYSA-N
Molecular Formula	C8H14O2

292

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Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 97%

CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1

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PubChem CID	77645
CAS	4027-57-0
Molecular Weight (g/mol)	154.17
MDL Number	MFCD00052514
SMILES	CCOC(=O)C1=NNC(C)=C1
IUPAC Name	ethyl 5-methyl-1H-pyrazole-3-carboxylate
InChI Key	BOTXQJAHRCGJEG-UHFFFAOYSA-N
Molecular Formula	C7H10N2O2

293

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Isopentyl butyrate, 98%

CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C

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PubChem CID	7795
CAS	106-27-4
Molecular Weight (g/mol)	158.24
ChEBI	CHEBI:87422
MDL Number	MFCD00044888
SMILES	CCCC(=O)OCCC(C)C
Synonym	isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate
IUPAC Name	3-methylbutyl butanoate
InChI Key	PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Molecular Formula	C9H18O2

294

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1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%

CAS: 50920-65-5 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00156147 InChI Key: VFMGOJUUTAPPDA-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl PubChem CID: 2743794 IUPAC Name: 2-ethyl-5-methylpyrazole-3-carboxylic acid SMILES: CCN1C(=CC(=N1)C)C(=O)O

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PubChem CID	2743794
CAS	50920-65-5
Molecular Weight (g/mol)	154.169
MDL Number	MFCD00156147
SMILES	CCN1C(=CC(=N1)C)C(=O)O
Synonym	1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl
IUPAC Name	2-ethyl-5-methylpyrazole-3-carboxylic acid
InChI Key	VFMGOJUUTAPPDA-UHFFFAOYSA-N
Molecular Formula	C7H10N2O2

295

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Pyridazine-3-carboxylic acid, 97%

CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD01646333 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)	124.099
MDL Number	MFCD01646333
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

296

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1H-Indene-3-carboxylic acid, 97%

CAS: 5020-21-3 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00086207 InChI Key: NZSCUDBGUBVDLO-UHFFFAOYSA-N Synonym: 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid PubChem CID: 84261 IUPAC Name: 3H-indene-1-carboxylic acid SMILES: C1C=C(C2=CC=CC=C21)C(=O)O

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PubChem CID	84261
CAS	5020-21-3
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00086207
SMILES	C1C=C(C2=CC=CC=C21)C(=O)O
Synonym	1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid
IUPAC Name	3H-indene-1-carboxylic acid
InChI Key	NZSCUDBGUBVDLO-UHFFFAOYSA-N
Molecular Formula	C10H8O2

297

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3-(3-Methylphenyl)propionic acid, 96%

CAS: 3751-48-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00060326 InChI Key: VWXVTHDQAOAENP-UHFFFAOYSA-N Synonym: 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid PubChem CID: 138042 IUPAC Name: 3-(3-methylphenyl)propanoic acid SMILES: CC1=CC(=CC=C1)CCC(=O)O

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PubChem CID	138042
CAS	3751-48-2
Molecular Weight (g/mol)	164.204
MDL Number	MFCD00060326
SMILES	CC1=CC(=CC=C1)CCC(=O)O
Synonym	3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid
IUPAC Name	3-(3-methylphenyl)propanoic acid
InChI Key	VWXVTHDQAOAENP-UHFFFAOYSA-N
Molecular Formula	C10H12O2

298

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2,2-Di-n-propylacetic acid, 98+%

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

299

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3-(4-Chlorophenyl)propionic acid, 94%

CAS: 2019-34-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016555 InChI Key: BBSLOKZINKEUCR-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid PubChem CID: 123137 IUPAC Name: 3-(4-chlorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Cl

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PubChem CID	123137
CAS	2019-34-3
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00016555
SMILES	C1=CC(=CC=C1CCC(=O)O)Cl
Synonym	3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid
IUPAC Name	3-(4-chlorophenyl)propanoic acid
InChI Key	BBSLOKZINKEUCR-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

300

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1H-Indazole-3-carboxylic acid, 98%

CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00211066 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O

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Specifications

PubChem CID	78250
CAS	4498-67-3
Molecular Weight (g/mol)	162.148
MDL Number	MFCD00211066
SMILES	C1=CC=C2C(=C1)C(=NN2)C(=O)O
Synonym	indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid
IUPAC Name	1H-indazole-3-carboxylic acid
InChI Key	BHXVYTQDWMQVBI-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

Monocarboxylic acids and derivatives

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