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.

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286 – 300 of 2,421 results

286

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trans-3-Hexenoic acid, 97%

CAS: 1577-18-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00002786 InChI Key: XXHDAWYDNSXJQM-ONEGZZNKSA-N Synonym: trans-3-hexenoic acid,hydrosorbic acid,3-hexenoic acid,e-hex-3-enoic acid,3-hexenoic acid, 3e,e-3-hexenoic acid,3-hexenoic acid, e,trans-hex-3-enoic acid,unii-9b3n069edg,fema no. 3170 PubChem CID: 5282708 ChEBI: CHEBI:49285 IUPAC Name: (E)-hex-3-enoic acid SMILES: CC\C=C\CC(O)=O

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Specifications

PubChem CID	5282708
CAS	1577-18-0
Molecular Weight (g/mol)	114.14
ChEBI	CHEBI:49285
MDL Number	MFCD00002786
SMILES	CC\C=C\CC(O)=O
Synonym	trans-3-hexenoic acid,hydrosorbic acid,3-hexenoic acid,e-hex-3-enoic acid,3-hexenoic acid, 3e,e-3-hexenoic acid,3-hexenoic acid, e,trans-hex-3-enoic acid,unii-9b3n069edg,fema no. 3170
IUPAC Name	(E)-hex-3-enoic acid
InChI Key	XXHDAWYDNSXJQM-ONEGZZNKSA-N
Molecular Formula	C6H10O2

287

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4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid, 98%

CAS: 338-03-4 Molecular Formula: C5H7F3O3 Molecular Weight (g/mol): 172.103 MDL Number: MFCD00039531 InChI Key: JCJGOWYCFRASTM-UHFFFAOYSA-N Synonym: 3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid PubChem CID: 136168 IUPAC Name: 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid SMILES: CC(CC(=O)O)(C(F)(F)F)O

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Specifications

PubChem CID	136168
CAS	338-03-4
Molecular Weight (g/mol)	172.103
MDL Number	MFCD00039531
SMILES	CC(CC(=O)O)(C(F)(F)F)O
Synonym	3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid
IUPAC Name	4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
InChI Key	JCJGOWYCFRASTM-UHFFFAOYSA-N
Molecular Formula	C5H7F3O3

288

Sorbic acid, free acid, ≥99%, MP Biomedicals™

CAS: 110-44-1 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 MDL Number: MFCD00002703 InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonym: sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid PubChem CID: 643460 ChEBI: CHEBI:38358 IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid SMILES: C\C=C\C=C\C(O)=O

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PubChem CID	643460
CAS	110-44-1
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:38358
MDL Number	MFCD00002703
SMILES	C\C=C\C=C\C(O)=O
Synonym	sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid
IUPAC Name	(2E,4E)-hexa-2,4-dienoic acid
InChI Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Molecular Formula	C6H8O2

289

(S)-2-[(tert-Butoxycarbonyl)amino]-5-(dimethylamino)pentanoic acid, Thermo Scientific™

CAS: 65671-54-7 Molecular Formula: C12H24N2O4 Molecular Weight (g/mol): 260.334 InChI Key: HBCLYVIARHJTTL-VIFPVBQESA-N Synonym: s-2-tert-butoxycarbonyl amino-5-dimethylamino pentanoic acid,2s-2-tert-butoxycarbonyl amino-5-dimethylamino pentanoic acid,s-2-boc-amino-5-dimethylamino pentanoic acid,s-2-tert-butoxycarbonyl amino-5-dimethylami,n∼2∼-tert-butoxycarbonyl-n∼5∼,n∼5∼-dimethyl-l-ornithine,s-2-tert-butoxycarbonylamino-5-dimethylamino pentanoic acid,l-ornithine, n2-1,1-dimethylethoxy carbonyl-n5,n5-dimethyl,2s-5-dimethylamino-2-tert-butoxy carbonylamino pentanoic acid PubChem CID: 16105709 IUPAC Name: (2S)-5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC(C)(C)OC(=O)NC(CCCN(C)C)C(=O)O

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Specifications

PubChem CID	16105709
CAS	65671-54-7
Molecular Weight (g/mol)	260.334
SMILES	CC(C)(C)OC(=O)NC(CCCN(C)C)C(=O)O
Synonym	s-2-tert-butoxycarbonyl amino-5-dimethylamino pentanoic acid,2s-2-tert-butoxycarbonyl amino-5-dimethylamino pentanoic acid,s-2-boc-amino-5-dimethylamino pentanoic acid,s-2-tert-butoxycarbonyl amino-5-dimethylami,n∼2∼-tert-butoxycarbonyl-n∼5∼,n∼5∼-dimethyl-l-ornithine,s-2-tert-butoxycarbonylamino-5-dimethylamino pentanoic acid,l-ornithine, n2-1,1-dimethylethoxy carbonyl-n5,n5-dimethyl,2s-5-dimethylamino-2-tert-butoxy carbonylamino pentanoic acid
IUPAC Name	(2S)-5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key	HBCLYVIARHJTTL-VIFPVBQESA-N
Molecular Formula	C12H24N2O4

290

Barium 2-ethylhexanoate in 2-ethylhexanoic acid, Ba ca 17.5%

CAS: 2457-01-4 Molecular Formula: C16H30BaO4 Molecular Weight (g/mol): 423.74 MDL Number: MFCD00058696 InChI Key: VJFFDDQGMMQGTQ-UHFFFAOYNA-L Synonym: barium 2-ethylhexanoate,barium bis 2-ethylhexanoate,barium 2+ ; 2-ethylhexanoate,hexanoic acid, 2-ethyl-, barium salt 2:1,acmc-20alrk,hexanoic acid, 2-ethyl-, barium salt,dsstox_cid_24888,dsstox_rid_80561,dsstox_gsid_44888,bis 2-ethylhexanoic acid barium salt PubChem CID: 102821 IUPAC Name: barium(2+);2-ethylhexanoate SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]

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PubChem CID	102821
CAS	2457-01-4
Molecular Weight (g/mol)	423.74
MDL Number	MFCD00058696
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
Synonym	barium 2-ethylhexanoate,barium bis 2-ethylhexanoate,barium 2+ ; 2-ethylhexanoate,hexanoic acid, 2-ethyl-, barium salt 2:1,acmc-20alrk,hexanoic acid, 2-ethyl-, barium salt,dsstox_cid_24888,dsstox_rid_80561,dsstox_gsid_44888,bis 2-ethylhexanoic acid barium salt
IUPAC Name	barium(2+);2-ethylhexanoate
InChI Key	VJFFDDQGMMQGTQ-UHFFFAOYNA-L
Molecular Formula	C16H30BaO4

291

Aluminum stearate, tech.

CAS: 637-12-7 Molecular Formula: C54H105AlO6 Molecular Weight (g/mol): 877.41 MDL Number: MFCD00036389 InChI Key: CEGOLXSVJUTHNZ-UHFFFAOYSA-K Synonym: aluminum stearate,aluminum stearate,aluminum octadecanoate,aluminum tristearate,aluminum iii stearate,metasap xx,tribasic aluminum stearate,octadecanoic acid, aluminum salt,rofob 3,alugel 34tn PubChem CID: 12496 ChEBI: CHEBI:37867 IUPAC Name: aluminum;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]

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Specifications

PubChem CID	12496
CAS	637-12-7
Molecular Weight (g/mol)	877.41
ChEBI	CHEBI:37867
MDL Number	MFCD00036389
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]
Synonym	aluminum stearate,aluminum stearate,aluminum octadecanoate,aluminum tristearate,aluminum iii stearate,metasap xx,tribasic aluminum stearate,octadecanoic acid, aluminum salt,rofob 3,alugel 34tn
IUPAC Name	aluminum;octadecanoate
InChI Key	CEGOLXSVJUTHNZ-UHFFFAOYSA-K
Molecular Formula	C54H105AlO6

292

Titanium(IV) 2-ethylhexanoate, 97%

CAS: 3645-34-9 Molecular Formula: C32H60O8Ti Molecular Weight (g/mol): 620.69 MDL Number: MFCD05663781 InChI Key: GDKAXSGMPFSRJY-UHFFFAOYNA-J Synonym: titanium iv 2-ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt,titanium ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt 4:1,2-ethylhexanoate; titanium 4+,titanium iv 2-ethylhexanoate 100g,tetrakis 2-ethylhexanoic acid titanium iv salt,titanium 4+ tetrakis 2-ethylhexanoate PubChem CID: 6451578 IUPAC Name: 2-ethylhexanoate;titanium(4+) SMILES: [Ti+4].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

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Specifications

PubChem CID	6451578
CAS	3645-34-9
Molecular Weight (g/mol)	620.69
MDL Number	MFCD05663781
SMILES	[Ti+4].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
Synonym	titanium iv 2-ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt,titanium ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt 4:1,2-ethylhexanoate; titanium 4+,titanium iv 2-ethylhexanoate 100g,tetrakis 2-ethylhexanoic acid titanium iv salt,titanium 4+ tetrakis 2-ethylhexanoate
IUPAC Name	2-ethylhexanoate;titanium(4+)
InChI Key	GDKAXSGMPFSRJY-UHFFFAOYNA-J
Molecular Formula	C32H60O8Ti

293

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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

294

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n-Pentadecanoic acid, 99%

CAS: 1002-84-2 Molecular Formula: C₁₅H₃₀O₂ Molecular Weight (g/mol): 242.4 MDL Number: MFCD00002745 InChI Key: WQEPLUUGTLDZJY-UHFFFAOYSA-N Synonym: pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure PubChem CID: 13849 ChEBI: CHEBI:42504 IUPAC Name: pentadecanoic acid SMILES: CCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	13849
CAS	1002-84-2
Molecular Weight (g/mol)	242.4
ChEBI	CHEBI:42504
MDL Number	MFCD00002745
SMILES	CCCCCCCCCCCCCCC(=O)O
Synonym	pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure
IUPAC Name	pentadecanoic acid
InChI Key	WQEPLUUGTLDZJY-UHFFFAOYSA-N
Molecular Formula	C₁₅H₃₀O₂

295

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4-Pentenoic acid, 98%

CAS: 591-80-0 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00004408 InChI Key: HVAMZGADVCBITI-UHFFFAOYSA-N Synonym: 4-pentenoic acid,allylacetic acid,allyl acetic acid,4 pa,3-vinylpropionic acid,delta 4-pentenoic acid,unii-d4s77y29fb,fema no. 2843,.delta.4-pentenoic acid,wln: qv3u1 PubChem CID: 61138 ChEBI: CHEBI:35936 IUPAC Name: pent-4-enoic acid SMILES: OC(=O)CCC=C

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Specifications

PubChem CID	61138
CAS	591-80-0
Molecular Weight (g/mol)	100.12
ChEBI	CHEBI:35936
MDL Number	MFCD00004408
SMILES	OC(=O)CCC=C
Synonym	4-pentenoic acid,allylacetic acid,allyl acetic acid,4 pa,3-vinylpropionic acid,delta 4-pentenoic acid,unii-d4s77y29fb,fema no. 2843,.delta.4-pentenoic acid,wln: qv3u1
IUPAC Name	pent-4-enoic acid
InChI Key	HVAMZGADVCBITI-UHFFFAOYSA-N
Molecular Formula	C5H8O2

296

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2-Butynoic acid, 98%

CAS: 590-93-2 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00004363 InChI Key: LUEHNHVFDCZTGL-UHFFFAOYSA-N Synonym: 2-butynoic acid,tetrolic acid,3-methylpropiolic acid,1-propynecarboxylic acid,2-butynoicacid,tetrolsaure,butynoic acid,2-butynic acid,propinecarboxylic acid PubChem CID: 68535 IUPAC Name: but-2-ynoic acid SMILES: CC#CC(O)=O

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Specifications

PubChem CID	68535
CAS	590-93-2
Molecular Weight (g/mol)	84.07
MDL Number	MFCD00004363
SMILES	CC#CC(O)=O
Synonym	2-butynoic acid,tetrolic acid,3-methylpropiolic acid,1-propynecarboxylic acid,2-butynoicacid,tetrolsaure,butynoic acid,2-butynic acid,propinecarboxylic acid
IUPAC Name	but-2-ynoic acid
InChI Key	LUEHNHVFDCZTGL-UHFFFAOYSA-N
Molecular Formula	C4H4O2

297

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Suberic acid, 99%

CAS: 505-48-6 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00004428 InChI Key: TYFQFVWCELRYAO-UHFFFAOYSA-N Synonym: suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h PubChem CID: 10457 ChEBI: CHEBI:9300 IUPAC Name: octanedioic acid SMILES: OC(=O)CCCCCCC(O)=O

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Specifications

PubChem CID	10457
CAS	505-48-6
Molecular Weight (g/mol)	174.20
ChEBI	CHEBI:9300
MDL Number	MFCD00004428
SMILES	OC(=O)CCCCCCC(O)=O
Synonym	suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h
IUPAC Name	octanedioic acid
InChI Key	TYFQFVWCELRYAO-UHFFFAOYSA-N
Molecular Formula	C8H14O4

298

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Sodium fumarate, 98%

CAS: 17013-01-3 Molecular Formula: C₄H₂Na₂O₄ Molecular Weight (g/mol): 160.04 MDL Number: MFCD00064567 InChI Key: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonym: disodium fumarate,sodium fumarate,sodium fumarate dibasic,fumaric acid, disodium salt,fumaric acid disodium salt,fumaran sodny czech,fumaran sodny,disodium butenedioate,di-sodium fumarate,sodium monofumarate PubChem CID: 87110070 IUPAC Name: (E)-but-2-enedioic acid;sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

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PubChem CID	87110070
CAS	17013-01-3
Molecular Weight (g/mol)	160.04
MDL Number	MFCD00064567
SMILES	C(=CC(=O)O)C(=O)O.[Na].[Na]
Synonym	disodium fumarate,sodium fumarate,sodium fumarate dibasic,fumaric acid, disodium salt,fumaric acid disodium salt,fumaran sodny czech,fumaran sodny,disodium butenedioate,di-sodium fumarate,sodium monofumarate
IUPAC Name	(E)-but-2-enedioic acid;sodium
InChI Key	VXXVUHAXJHEYFH-SEPHDYHBSA-N
Molecular Formula	C₄H₂Na₂O₄

299

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8-Bromooctanoic acid, 95%

CAS: 17696-11-6 Molecular Formula: C₈H₁₅BrO₂ Molecular Weight (g/mol): 223.11 MDL Number: MFCD00004430 InChI Key: BKJFDZSBZWHRNH-UHFFFAOYSA-N Synonym: 8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h PubChem CID: 548275 IUPAC Name: 8-bromooctanoic acid SMILES: C(CCCC(=O)O)CCCBr

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Specifications

PubChem CID	548275
CAS	17696-11-6
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00004430
SMILES	C(CCCC(=O)O)CCCBr
Synonym	8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h
IUPAC Name	8-bromooctanoic acid
InChI Key	BKJFDZSBZWHRNH-UHFFFAOYSA-N
Molecular Formula	C₈H₁₅BrO₂

300

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2-Methylhexanoic acid, 98%

CAS: 4536-23-6 Molecular Formula: C7H13O2 Molecular Weight (g/mol): 129.18 MDL Number: MFCD00002674 InChI Key: CVKMFSAVYPAZTQ-ZCFIWIBFSA-M Synonym: 2-methylcaproic acid,hexanoic acid, 2-methyl,methylhexanoic acid,2-methyl hexanoic acid,2-hexanecarboxylic acid,alpha-methylcaproic acid,2-methyl-hexanoic acid,fema no. 3191,.alpha.-methylcaproic acid,hexanoic acid, methyl PubChem CID: 20653 SMILES: CCCC[C@@H](C)C([O-])=O

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Specifications

PubChem CID	20653
CAS	4536-23-6
Molecular Weight (g/mol)	129.18
MDL Number	MFCD00002674
SMILES	CCCC[C@@H](C)C([O-])=O
Synonym	2-methylcaproic acid,hexanoic acid, 2-methyl,methylhexanoic acid,2-methyl hexanoic acid,2-hexanecarboxylic acid,alpha-methylcaproic acid,2-methyl-hexanoic acid,fema no. 3191,.alpha.-methylcaproic acid,hexanoic acid, methyl
InChI Key	CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
Molecular Formula	C7H13O2

Fatty acid conjugates

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