Fatty acid conjugates

Positional and geometric isomers of fatty acids with conjugated double bonds; implies four consecutive unsaturated links, and results in a delocalization of electrons along the double-bonded carbons; available in carbon chains of varying length.

211 – 225 of 1,635 results

211

5-Bromovaleric acid, 97%

CAS: 2067-33-6 Molecular Formula: C₅H₉BrO₂ Molecular Weight (g/mol): 181.03 MDL Number: MFCD00004414 InChI Key: WNXNUPJZWYOKMW-UHFFFAOYSA-N Synonym: 5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid PubChem CID: 16368 IUPAC Name: 5-bromopentanoic acid SMILES: C(CCBr)CC(=O)O

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Specifications

PubChem CID	16368
CAS	2067-33-6
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00004414
SMILES	C(CCBr)CC(=O)O
Synonym	5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid
IUPAC Name	5-bromopentanoic acid
InChI Key	WNXNUPJZWYOKMW-UHFFFAOYSA-N
Molecular Formula	C₅H₉BrO₂

212

Undecanoic acid, 99%

CAS: 112-37-8 Molecular Formula: C₁₁H₂₂O₂ Molecular Weight (g/mol): 186.29 MDL Number: MFCD00002730 InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N Synonym: hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg PubChem CID: 8180 ChEBI: CHEBI:32368 IUPAC Name: undecanoic acid SMILES: CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	8180
CAS	112-37-8
Molecular Weight (g/mol)	186.29
ChEBI	CHEBI:32368
MDL Number	MFCD00002730
SMILES	CCCCCCCCCCC(=O)O
Synonym	hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg
IUPAC Name	undecanoic acid
InChI Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula	C₁₁H₂₂O₂

213

Monomethyl adipate, 97%

CAS: 627-91-8 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004418 InChI Key: UOBSVARXACCLLH-UHFFFAOYSA-N Synonym: monomethyl adipate,adipic acid monomethyl ester,methyl hydrogen adipate,methyl adipate,methyl hemiadipate,hexanedioic acid, monomethyl ester,5-carbomethoxypentanoic acid,monomethyl 1,6-hexanedioate,adipic acid, monomethyl ester,hexanedioic acid, 1-methyl ester PubChem CID: 12328 ChEBI: CHEBI:70855 IUPAC Name: 6-methoxy-6-oxohexanoic acid SMILES: COC(=O)CCCCC(O)=O

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Specifications

PubChem CID	12328
CAS	627-91-8
Molecular Weight (g/mol)	160.17
ChEBI	CHEBI:70855
MDL Number	MFCD00004418
SMILES	COC(=O)CCCCC(O)=O
Synonym	monomethyl adipate,adipic acid monomethyl ester,methyl hydrogen adipate,methyl adipate,methyl hemiadipate,hexanedioic acid, monomethyl ester,5-carbomethoxypentanoic acid,monomethyl 1,6-hexanedioate,adipic acid, monomethyl ester,hexanedioic acid, 1-methyl ester
IUPAC Name	6-methoxy-6-oxohexanoic acid
InChI Key	UOBSVARXACCLLH-UHFFFAOYSA-N
Molecular Formula	C7H12O4

214

4-Cyanobutyric acid, 95%

CAS: 39201-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00218781 InChI Key: YXBVMSQDRLXPQV-UHFFFAOYSA-N Synonym: 4-cyanobutyric acid,butanoic acid, 4-cyano,4-cyanobutanoicacid PubChem CID: 38239 IUPAC Name: 4-cyanobutanoic acid SMILES: C(CC#N)CC(=O)O

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Specifications

PubChem CID	38239
CAS	39201-33-7
Molecular Weight (g/mol)	113.116
MDL Number	MFCD00218781
SMILES	C(CC#N)CC(=O)O
Synonym	4-cyanobutyric acid,butanoic acid, 4-cyano,4-cyanobutanoicacid
IUPAC Name	4-cyanobutanoic acid
InChI Key	YXBVMSQDRLXPQV-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

215

2-Hydroxy-4-methylvaleric acid, 98%

CAS: 498-36-2 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00004246 InChI Key: LVRFTAZAXQPQHI-UHFFFAOYSA-N Synonym: 2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate PubChem CID: 92779 ChEBI: CHEBI:59783 IUPAC Name: 2-hydroxy-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)O

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Specifications

PubChem CID	92779
CAS	498-36-2
Molecular Weight (g/mol)	132.159
ChEBI	CHEBI:59783
MDL Number	MFCD00004246
SMILES	CC(C)CC(C(=O)O)O
Synonym	2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate
IUPAC Name	2-hydroxy-4-methylpentanoic acid
InChI Key	LVRFTAZAXQPQHI-UHFFFAOYSA-N
Molecular Formula	C6H12O3

216

tert-Butyl hydrogen succinate, 97%

CAS: 15026-17-2 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00273441 InChI Key: PCOCFIOYWNCGBM-UHFFFAOYSA-N Synonym: mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester PubChem CID: 4139107 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid SMILES: CC(C)(C)OC(=O)CCC(O)=O

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Specifications

PubChem CID	4139107
CAS	15026-17-2
Molecular Weight (g/mol)	174.20
MDL Number	MFCD00273441
SMILES	CC(C)(C)OC(=O)CCC(O)=O
Synonym	mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester
IUPAC Name	4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI Key	PCOCFIOYWNCGBM-UHFFFAOYSA-N
Molecular Formula	C8H14O4

217

(Ethylthio)acetic acid, 97%

CAS: 627-04-3 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00021769 InChI Key: VJIKFWJCVWFZIN-UHFFFAOYSA-N Synonym: ethylthio acetic acid,acetic acid, ethylthio,ethylthioacetic acid,ethylmercapto acetic acid,carboxymethyl ethyl sulfide,s-carboxymethyl ethyl mercaptan,2-ethylthio acetic acid,unii-m3d5y724hz,acetic acid, 2-ethylthio,ethylmercaptoacetic acid PubChem CID: 69387 IUPAC Name: 2-ethylsulfanylacetic acid SMILES: CCSCC(=O)O

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Specifications

PubChem CID	69387
CAS	627-04-3
Molecular Weight (g/mol)	120.166
MDL Number	MFCD00021769
SMILES	CCSCC(=O)O
Synonym	ethylthio acetic acid,acetic acid, ethylthio,ethylthioacetic acid,ethylmercapto acetic acid,carboxymethyl ethyl sulfide,s-carboxymethyl ethyl mercaptan,2-ethylthio acetic acid,unii-m3d5y724hz,acetic acid, 2-ethylthio,ethylmercaptoacetic acid
IUPAC Name	2-ethylsulfanylacetic acid
InChI Key	VJIKFWJCVWFZIN-UHFFFAOYSA-N
Molecular Formula	C4H8O2S

218

6-(Boc-amino)hexanoic acid, 95%

CAS: 6404-29-1 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD00037798 InChI Key: RUFDYIJGNPVTAY-UHFFFAOYSA-N Synonym: boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid PubChem CID: 637602 IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	637602
CAS	6404-29-1
Molecular Weight (g/mol)	231.292
MDL Number	MFCD00037798
SMILES	CC(C)(C)OC(=O)NCCCCCC(=O)O
Synonym	boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid
IUPAC Name	6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	RUFDYIJGNPVTAY-UHFFFAOYSA-N
Molecular Formula	C11H21NO4

219

(S)-4-Amino-2-(Boc-amino)butyric acid, 97%

CAS: 25691-37-6 Molecular Formula: C9H18N2O4 Molecular Weight (g/mol): 218.253 MDL Number: MFCD00236841 InChI Key: MDCPCLPRWLKUIQ-LURJTMIESA-N Synonym: boc-l-2,4-diaminobutyric acid,boc-dab-oh,s-4-amino-2-tert-butoxycarbonyl amino butanoic acid,s-4-amino-2-tert-butoxycarbonylamino butanoic acid,n2-boc-s-2,4-diamino-butanoic acid,s-4-amino-2-boc-amino butyric acid,2s-4-amino-2-tert-butoxycarbonyl amino butanoic acid,n-boc-s-2,4-diamino-butanoic acid,butanoic acid, 4-amino-2-1,1-dimethylethoxy carbonyl amino-, 2s,s-4-amino-2-tert-butoxycarbonylamino butyric acid PubChem CID: 7019666 IUPAC Name: (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: CC(C)(C)OC(=O)NC(CCN)C(=O)O

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Specifications

PubChem CID	7019666
CAS	25691-37-6
Molecular Weight (g/mol)	218.253
MDL Number	MFCD00236841
SMILES	CC(C)(C)OC(=O)NC(CCN)C(=O)O
Synonym	boc-l-2,4-diaminobutyric acid,boc-dab-oh,s-4-amino-2-tert-butoxycarbonyl amino butanoic acid,s-4-amino-2-tert-butoxycarbonylamino butanoic acid,n2-boc-s-2,4-diamino-butanoic acid,s-4-amino-2-boc-amino butyric acid,2s-4-amino-2-tert-butoxycarbonyl amino butanoic acid,n-boc-s-2,4-diamino-butanoic acid,butanoic acid, 4-amino-2-1,1-dimethylethoxy carbonyl amino-, 2s,s-4-amino-2-tert-butoxycarbonylamino butyric acid
IUPAC Name	(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI Key	MDCPCLPRWLKUIQ-LURJTMIESA-N
Molecular Formula	C9H18N2O4

220

9-cis-Retinoic acid

CAS: 5300-03-8 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00270072 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid PubChem CID: 449171 ChEBI: CHEBI:50648 IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

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Specifications

PubChem CID	449171
CAS	5300-03-8
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:50648
MDL Number	MFCD00270072
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
Synonym	alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid
IUPAC Name	(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
InChI Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula	C20H28O2

221

(2R,3S)-3-(Boc-amino)-2-hydroxy-5-methylhexanoic acid, 97%

CAS: 73397-28-1 Molecular Formula: C12H23NO5 Molecular Weight (g/mol): 261.318 MDL Number: MFCD04972275 InChI Key: DJZCWTDKDFJARG-DTWKUNHWSA-N Synonym: boc-2r,3s-3-amino-2-hydroxy-5-methylhexanoicacid,2r,3s-3-boc-amino-2-hydroxy-5-methylhexanoic acid,n-boc-2r,3s-2-hydroxy-3-amino-5-methylhexanoic acid,2r,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoic acid,2r,3s-2-hydroxy-3-tert-butoxycarbonylamino-5-methylhexanoic acid PubChem CID: 10377964 IUPAC Name: (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)CC(C(C(=O)O)O)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	10377964
CAS	73397-28-1
Molecular Weight (g/mol)	261.318
MDL Number	MFCD04972275
SMILES	CC(C)CC(C(C(=O)O)O)NC(=O)OC(C)(C)C
Synonym	boc-2r,3s-3-amino-2-hydroxy-5-methylhexanoicacid,2r,3s-3-boc-amino-2-hydroxy-5-methylhexanoic acid,n-boc-2r,3s-2-hydroxy-3-amino-5-methylhexanoic acid,2r,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoic acid,2r,3s-2-hydroxy-3-tert-butoxycarbonylamino-5-methylhexanoic acid
IUPAC Name	(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	DJZCWTDKDFJARG-DTWKUNHWSA-N
Molecular Formula	C12H23NO5

222

Nonadecanoic acid, 98+%

CAS: 646-30-0 Molecular Formula: C₁₉H₃₈O₂ Molecular Weight (g/mol): 298.51 MDL Number: MFCD00002754 InChI Key: ISYWECDDZWTKFF-UHFFFAOYSA-N Synonym: n-nonadecanoic acid,nonadecylic acid,unii-h6m3vyc62p,h6m3vyc62p,fatty acids, c16-22,n-nonadecanoate,n-nonadecylate,nonadecyclic acid,c16-c22 alkylcarboxylic acid PubChem CID: 12591 ChEBI: CHEBI:39246 IUPAC Name: nonadecanoic acid SMILES: CCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	12591
CAS	646-30-0
Molecular Weight (g/mol)	298.51
ChEBI	CHEBI:39246
MDL Number	MFCD00002754
SMILES	CCCCCCCCCCCCCCCCCCC(=O)O
Synonym	n-nonadecanoic acid,nonadecylic acid,unii-h6m3vyc62p,h6m3vyc62p,fatty acids, c16-22,n-nonadecanoate,n-nonadecylate,nonadecyclic acid,c16-c22 alkylcarboxylic acid
IUPAC Name	nonadecanoic acid
InChI Key	ISYWECDDZWTKFF-UHFFFAOYSA-N
Molecular Formula	C₁₉H₃₈O₂

223

(S)-2-Isobutylsuccinic acid-1-methyl ester, 95%, (98% ee), Thermo Scientific™

CAS: 213270-36-1 Molecular Formula: C₉H₁₆O₄ Molecular Weight (g/mol): 188.22 MDL Number: MFCD01091033 InChI Key: AJNNFMRCMKGYHA-ZETCQYMHSA-N Synonym: s-3-methoxycarbonyl-5-methylhexanoic acid,s---2-isobutylsuccinic acid 1-methyl ester,3s-3-methoxycarbonyl-5-methylhexanoic acid,s-2-isobutylsuccinic acid 1-methyl ester,s-2-2-methylpropyl butanedioic acid 1-methyl ester,butanedioic acid,2-2-methylpropyl-, 1-methyl ester, 2s PubChem CID: 2734513 IUPAC Name: (3S)-3-methoxycarbonyl-5-methylhexanoic acid SMILES: CC(C)CC(CC(=O)O)C(=O)OC

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Specifications

PubChem CID	2734513
CAS	213270-36-1
Molecular Weight (g/mol)	188.22
MDL Number	MFCD01091033
SMILES	CC(C)CC(CC(=O)O)C(=O)OC
Synonym	s-3-methoxycarbonyl-5-methylhexanoic acid,s---2-isobutylsuccinic acid 1-methyl ester,3s-3-methoxycarbonyl-5-methylhexanoic acid,s-2-isobutylsuccinic acid 1-methyl ester,s-2-2-methylpropyl butanedioic acid 1-methyl ester,butanedioic acid,2-2-methylpropyl-, 1-methyl ester, 2s
IUPAC Name	(3S)-3-methoxycarbonyl-5-methylhexanoic acid
InChI Key	AJNNFMRCMKGYHA-ZETCQYMHSA-N
Molecular Formula	C₉H₁₆O₄

224

(R)-2-Isobutylsuccinic acid-1-methyl ester, 95%, (98% ee)

CAS: 130165-76-3 Molecular Formula: C₉H₁₆O₄ Molecular Weight (g/mol): 188.22 MDL Number: MFCD01091032 InChI Key: AJNNFMRCMKGYHA-SSDOTTSWSA-N Synonym: r-2-isobutylsuccinic acid-1-methyl ester,3r-3-methoxycarbonyl-5-methylhexanoic acid,r-3-methoxycarbonyl-5-methylhexanoic acid,butanedioic acid,2-2-methylpropyl-, 1-methyl ester, 2r,r-2-isobutyl succinic acid 1-methyl ester,r-+-2-isobutylsuccinic acid 1-methyl ester PubChem CID: 5702633 IUPAC Name: (3R)-3-methoxycarbonyl-5-methylhexanoic acid SMILES: CC(C)CC(CC(=O)O)C(=O)OC

Pricing & Availability
Specifications

PubChem CID	5702633
CAS	130165-76-3
Molecular Weight (g/mol)	188.22
MDL Number	MFCD01091032
SMILES	CC(C)CC(CC(=O)O)C(=O)OC
Synonym	r-2-isobutylsuccinic acid-1-methyl ester,3r-3-methoxycarbonyl-5-methylhexanoic acid,r-3-methoxycarbonyl-5-methylhexanoic acid,butanedioic acid,2-2-methylpropyl-, 1-methyl ester, 2r,r-2-isobutyl succinic acid 1-methyl ester,r-+-2-isobutylsuccinic acid 1-methyl ester
IUPAC Name	(3R)-3-methoxycarbonyl-5-methylhexanoic acid
InChI Key	AJNNFMRCMKGYHA-SSDOTTSWSA-N
Molecular Formula	C₉H₁₆O₄

225

4,4,4-Trifluorobutyric acid, 97%

CAS: 406-93-9 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00077604 InChI Key: WTUCTMYLCMVYEX-UHFFFAOYSA-N Synonym: 4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid PubChem CID: 2777085 IUPAC Name: 4,4,4-trifluorobutanoic acid SMILES: C(CC(F)(F)F)C(=O)O

Pricing & Availability
Specifications

PubChem CID	2777085
CAS	406-93-9
Molecular Weight (g/mol)	142.077
MDL Number	MFCD00077604
SMILES	C(CC(F)(F)F)C(=O)O
Synonym	4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid
IUPAC Name	4,4,4-trifluorobutanoic acid
InChI Key	WTUCTMYLCMVYEX-UHFFFAOYSA-N
Molecular Formula	C4H5F3O2

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