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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136 – 150 of 2,409 results

136

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2,2-Difluorobutyric acid, 97%

CAS: 2366-62-3 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD03093765 InChI Key: SBSKRVZFWQPJID-UHFFFAOYSA-N Synonym: 2,2-difluorobutyric acid,2,2-difluorobutyricacid,pubchem15470,difluoramino butyric acid,2,2-bis fluoranyl butanoic acid PubChem CID: 3711426 IUPAC Name: 2,2-difluorobutanoic acid SMILES: CCC(C(=O)O)(F)F

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Specifications

PubChem CID	3711426
CAS	2366-62-3
Molecular Weight (g/mol)	124.087
MDL Number	MFCD03093765
SMILES	CCC(C(=O)O)(F)F
Synonym	2,2-difluorobutyric acid,2,2-difluorobutyricacid,pubchem15470,difluoramino butyric acid,2,2-bis fluoranyl butanoic acid
IUPAC Name	2,2-difluorobutanoic acid
InChI Key	SBSKRVZFWQPJID-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

137

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2-Hydroxy-3-methylbutyric acid, 97%

CAS: 4026-18-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00004242 InChI Key: NGEWQZIDQIYUNV-UHFFFAOYSA-N Synonym: 2-hydroxy-3-methylbutyric acid,2-hydroxyisovaleric acid,alpha-hydroxyisovaleric acid,2-oxyisovaleric acid,3-methyl-2-hydroxybutyric acid,butanoic acid, 2-hydroxy-3-methyl,2-hydroxyisopentanoic acid,dl-2-hydroxyisovaleric acid,dl-2-hydroxy-3-methylbutanoic acid,2-hydroxyisopentanoate PubChem CID: 99823 ChEBI: CHEBI:60645 IUPAC Name: 2-hydroxy-3-methylbutanoic acid SMILES: CC(C)C(C(=O)O)O

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Specifications

PubChem CID	99823
CAS	4026-18-0
Molecular Weight (g/mol)	118.132
ChEBI	CHEBI:60645
MDL Number	MFCD00004242
SMILES	CC(C)C(C(=O)O)O
Synonym	2-hydroxy-3-methylbutyric acid,2-hydroxyisovaleric acid,alpha-hydroxyisovaleric acid,2-oxyisovaleric acid,3-methyl-2-hydroxybutyric acid,butanoic acid, 2-hydroxy-3-methyl,2-hydroxyisopentanoic acid,dl-2-hydroxyisovaleric acid,dl-2-hydroxy-3-methylbutanoic acid,2-hydroxyisopentanoate
IUPAC Name	2-hydroxy-3-methylbutanoic acid
InChI Key	NGEWQZIDQIYUNV-UHFFFAOYSA-N
Molecular Formula	C5H10O3

138

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trans-3-[4-(Boc-amino)cyclohexyl]propionic acid, 97%

CAS: 204245-65-8 Molecular Formula: C14H25NO4 Molecular Weight (g/mol): 271.357 MDL Number: MFCD03844590 InChI Key: WCXYTBUDVLMXND-UHFFFAOYSA-N Synonym: cis-3-4-tert-butoxycarbonylaminocyclohexyl propionic acid,cis-3-4-tert-butoxycarbonylaminocyclohexyl-propionic acid,trans-3-4-tert-butoxycarbonylaminocyclohexyl propionic acid,trans-3-4-tert-butoxycarbonylaminocyclohexyl-propionic acid,3-4-tert-butoxycarbonyl amino cyclohexyl propanoic acid,3-trans-4-tert-butoxycarbonyl amino cyclohexyl propanoic acid,wcxytbudvlmxnd-phimtyicsa-n,wcxytbudvlmxnd-xypyzodxsa-n,3-trans-4-tert-butoxycarbonylamino-cyclohexyl-propionic acid PubChem CID: 10516274 IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid SMILES: CC(C)(C)OC(=O)NC1CCC(CC1)CCC(=O)O

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Specifications

PubChem CID	10516274
CAS	204245-65-8
Molecular Weight (g/mol)	271.357
MDL Number	MFCD03844590
SMILES	CC(C)(C)OC(=O)NC1CCC(CC1)CCC(=O)O
Synonym	cis-3-4-tert-butoxycarbonylaminocyclohexyl propionic acid,cis-3-4-tert-butoxycarbonylaminocyclohexyl-propionic acid,trans-3-4-tert-butoxycarbonylaminocyclohexyl propionic acid,trans-3-4-tert-butoxycarbonylaminocyclohexyl-propionic acid,3-4-tert-butoxycarbonyl amino cyclohexyl propanoic acid,3-trans-4-tert-butoxycarbonyl amino cyclohexyl propanoic acid,wcxytbudvlmxnd-phimtyicsa-n,wcxytbudvlmxnd-xypyzodxsa-n,3-trans-4-tert-butoxycarbonylamino-cyclohexyl-propionic acid
IUPAC Name	3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
InChI Key	WCXYTBUDVLMXND-UHFFFAOYSA-N
Molecular Formula	C14H25NO4

139

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Nalpha-Boc-D-lysine, 98%

CAS: 106719-44-2 Molecular Formula: C11H22N2O4 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00076956 InChI Key: DQUHYEDEGRNAFO-SVGMAFHSNA-N Synonym: boc-d-lys-oh,boc-l-lys-oh,n2-boc-d-lysine,nalpha-tert-butoxycarbonyl-d-lysine,nalpha-boc-d-lysine,n-,a-boc-d-lysine,boc-d-lysine,d-lysine, n2-1,1-dimethylethoxy carbonyl,n-tert-butoxycarbonyl-d-lysine,n-alpha-t-butoxycarbonyl-d-lysine PubChem CID: 7018770 IUPAC Name: (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)N[C@H](CCCCN)C(O)=O

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Specifications

PubChem CID	7018770
CAS	106719-44-2
Molecular Weight (g/mol)	246.31
MDL Number	MFCD00076956
SMILES	CC(C)(C)OC(=O)N[C@H](CCCCN)C(O)=O
Synonym	boc-d-lys-oh,boc-l-lys-oh,n2-boc-d-lysine,nalpha-tert-butoxycarbonyl-d-lysine,nalpha-boc-d-lysine,n-,a-boc-d-lysine,boc-d-lysine,d-lysine, n2-1,1-dimethylethoxy carbonyl,n-tert-butoxycarbonyl-d-lysine,n-alpha-t-butoxycarbonyl-d-lysine
IUPAC Name	(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	DQUHYEDEGRNAFO-SVGMAFHSNA-N
Molecular Formula	C11H22N2O4

140

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2,2-Dimethyl-4-pentenoic acid, 95%

CAS: 16386-93-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00012304 InChI Key: BGUAPYRHJPWVEM-UHFFFAOYSA-N Synonym: 2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g PubChem CID: 140065 IUPAC Name: 2,2-dimethylpent-4-enoic acid SMILES: CC(C)(CC=C)C(O)=O

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Specifications

PubChem CID	140065
CAS	16386-93-9
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00012304
SMILES	CC(C)(CC=C)C(O)=O
Synonym	2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g
IUPAC Name	2,2-dimethylpent-4-enoic acid
InChI Key	BGUAPYRHJPWVEM-UHFFFAOYSA-N
Molecular Formula	C7H12O2

141

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Nepsilon-Acetyl-Nalpha-Boc-L-lysine, 98%, Thermo Scientific™

CAS: 6404-26-8 Molecular Formula: C13H24N2O5 Molecular Weight (g/mol): 288.34 MDL Number: MFCD00057791 InChI Key: IOKOUUAPSRCSNT-UEQNJFAPNA-N Synonym: boc-lys ac-oh,n-boc-n'-acetyl-l-lysine,s-6-acetamido-2-tert-butoxycarbonyl amino hexanoic acid,boc-lys-ac-oh,n-boc-n-acetyl-l-lisine,boc-n-epsilon-acetyl-l-lysine,na-t-boc-n-epsilon-acetyl-l-lysine,2s-6-acetylamino-2-tert-butoxycarbonylamino hexanoic acid,2s-2-tert-butoxycarbonyl amino-6-acetamidohexanoic acid PubChem CID: 7016049 IUPAC Name: (2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	7016049
CAS	6404-26-8
Molecular Weight (g/mol)	288.34
MDL Number	MFCD00057791
SMILES	CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-lys ac-oh,n-boc-n'-acetyl-l-lysine,s-6-acetamido-2-tert-butoxycarbonyl amino hexanoic acid,boc-lys-ac-oh,n-boc-n-acetyl-l-lisine,boc-n-epsilon-acetyl-l-lysine,na-t-boc-n-epsilon-acetyl-l-lysine,2s-6-acetylamino-2-tert-butoxycarbonylamino hexanoic acid,2s-2-tert-butoxycarbonyl amino-6-acetamidohexanoic acid
IUPAC Name	(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	IOKOUUAPSRCSNT-UEQNJFAPNA-N
Molecular Formula	C13H24N2O5

142

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Nepsilon-Benzyloxycarbonyl-Nalpha-Boc-L-lysine, 95%

CAS: 2389-45-9 Molecular Formula: C19H28N2O6 Molecular Weight (g/mol): 380.44 MDL Number: MFCD00065584 InChI Key: BDHUTRNYBGWPBL-GGYSOQFKNA-N Synonym: boc-lys z-oh,n-boc-n'-cbz-l-lysine,boc-lys cbz-oh,boc-l-lys z-oh,nalpha-boc-nepsilon-cbz-l-lysine,s-6-benzyloxy carbonyl amino-2-tert-butoxycarbonyl amino hexanoic acid,2s-6-benzyloxy carbonyl amino-2-tert-butoxycarbonyl amino hexanoic acid,n-alpha-boc-n-epsilon-benzyloxycarbonyl-l-lysine,nalpha-tert-butoxycarbonyl-nepsilon-carbobenzoxy-l-lysine,n-alpha-t-butyloxycarbonyl-n-epsilon-benzyloxycarbonyl-l-lysine PubChem CID: 2724765 SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	2724765
CAS	2389-45-9
Molecular Weight (g/mol)	380.44
MDL Number	MFCD00065584
SMILES	CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	boc-lys z-oh,n-boc-n'-cbz-l-lysine,boc-lys cbz-oh,boc-l-lys z-oh,nalpha-boc-nepsilon-cbz-l-lysine,s-6-benzyloxy carbonyl amino-2-tert-butoxycarbonyl amino hexanoic acid,2s-6-benzyloxy carbonyl amino-2-tert-butoxycarbonyl amino hexanoic acid,n-alpha-boc-n-epsilon-benzyloxycarbonyl-l-lysine,nalpha-tert-butoxycarbonyl-nepsilon-carbobenzoxy-l-lysine,n-alpha-t-butyloxycarbonyl-n-epsilon-benzyloxycarbonyl-l-lysine
InChI Key	BDHUTRNYBGWPBL-GGYSOQFKNA-N
Molecular Formula	C19H28N2O6

143

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Methyl hydrogen suberate, 98%

CAS: 3946-32-5 Molecular Formula: C9H15O4 Molecular Weight (g/mol): 187.22 MDL Number: MFCD00004427 InChI Key: KOVPXZDUVJGGFU-UHFFFAOYSA-M Synonym: suberic acid monomethyl ester,monomethyl suberate,methyl hydrogen suberate,subericacidmonomethylester,octanedioic acid monomethyl ester,mono-methyl suberate,acmc-1ckw1,ksc492m6f,7-methoxycarbonylheptanoic acid,octanedioic acid 1-methyl ester PubChem CID: 554191 IUPAC Name: 8-methoxy-8-oxooctanoic acid SMILES: COC(=O)CCCCCCC([O-])=O

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Specifications

PubChem CID	554191
CAS	3946-32-5
Molecular Weight (g/mol)	187.22
MDL Number	MFCD00004427
SMILES	COC(=O)CCCCCCC([O-])=O
Synonym	suberic acid monomethyl ester,monomethyl suberate,methyl hydrogen suberate,subericacidmonomethylester,octanedioic acid monomethyl ester,mono-methyl suberate,acmc-1ckw1,ksc492m6f,7-methoxycarbonylheptanoic acid,octanedioic acid 1-methyl ester
IUPAC Name	8-methoxy-8-oxooctanoic acid
InChI Key	KOVPXZDUVJGGFU-UHFFFAOYSA-M
Molecular Formula	C9H15O4

144

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Ethyl 3-cyclopropyl-3-oxopropionate, 96%

CAS: 24922-02-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00184570 InChI Key: LFSVADABIDBSBV-UHFFFAOYSA-N Synonym: 3-cyclopropyl-3-oxo-propionic acid ethyl ester,ethyl 3-cyclopropyl-3-oxo-propanoate,ethyl 3-cyclopropyl-3-oxopropionate,ethyl 3-cyclopropyl-3-oxo-propionate,ethyl beta-oxo-cyclopropane propionate,ksc205o7f,ethyl cyclopropylcarbonylacetate,carbethoxymethyl cyclopropyl ketone,ethyl ?-oxo-cyclopropanepropionate,ethyl3-cyclopropyl-3-oxopropanoate PubChem CID: 262979 IUPAC Name: ethyl 3-cyclopropyl-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1CC1

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Specifications

PubChem CID	262979
CAS	24922-02-9
Molecular Weight (g/mol)	156.18
MDL Number	MFCD00184570
SMILES	CCOC(=O)CC(=O)C1CC1
Synonym	3-cyclopropyl-3-oxo-propionic acid ethyl ester,ethyl 3-cyclopropyl-3-oxo-propanoate,ethyl 3-cyclopropyl-3-oxopropionate,ethyl 3-cyclopropyl-3-oxo-propionate,ethyl beta-oxo-cyclopropane propionate,ksc205o7f,ethyl cyclopropylcarbonylacetate,carbethoxymethyl cyclopropyl ketone,ethyl ?-oxo-cyclopropanepropionate,ethyl3-cyclopropyl-3-oxopropanoate
IUPAC Name	ethyl 3-cyclopropyl-3-oxopropanoate
InChI Key	LFSVADABIDBSBV-UHFFFAOYSA-N
Molecular Formula	C8H12O3

145

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2-Pentynoic acid, 97%

CAS: 5963-77-9 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00014370 InChI Key: MINRDQDGBLQBGD-UHFFFAOYSA-N Synonym: 2-pentynoic acid,pentynoic acid,2-pentynoicacid,2-pentyneoic acid,acmc-1ay8s PubChem CID: 324379 IUPAC Name: pent-2-ynoic acid SMILES: CCC#CC(=O)O

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Specifications

PubChem CID	324379
CAS	5963-77-9
Molecular Weight (g/mol)	98.101
MDL Number	MFCD00014370
SMILES	CCC#CC(=O)O
Synonym	2-pentynoic acid,pentynoic acid,2-pentynoicacid,2-pentyneoic acid,acmc-1ay8s
IUPAC Name	pent-2-ynoic acid
InChI Key	MINRDQDGBLQBGD-UHFFFAOYSA-N
Molecular Formula	C5H6O2

146

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10,12-Pentacosadiynoic acid, 98+%

CAS: 66990-32-7 Molecular Formula: C25H42O2 Molecular Weight (g/mol): 374.61 MDL Number: MFCD00041684 InChI Key: ZPUDRBWHCWYMQS-UHFFFAOYSA-N Synonym: 10,12-pentacosadiynoic acid,10,12-pentacosadiynoicacid,acmc-209nx9,10-12-pentacosadiynoic acid,10,12-pentacosadiynoic acid hplc PubChem CID: 538433 IUPAC Name: pentacosa-10,12-diynoic acid SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O

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Specifications

PubChem CID	538433
CAS	66990-32-7
Molecular Weight (g/mol)	374.61
MDL Number	MFCD00041684
SMILES	CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O
Synonym	10,12-pentacosadiynoic acid,10,12-pentacosadiynoicacid,acmc-209nx9,10-12-pentacosadiynoic acid,10,12-pentacosadiynoic acid hplc
IUPAC Name	pentacosa-10,12-diynoic acid
InChI Key	ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Molecular Formula	C25H42O2

147

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N,N-Dimethylsuccinamic acid, 98%

CAS: 2564-95-6 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.158 MDL Number: MFCD00043505 InChI Key: WAIGPJMZARQZDX-UHFFFAOYSA-N Synonym: n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl PubChem CID: 75717 IUPAC Name: 4-(dimethylamino)-4-oxobutanoic acid SMILES: CN(C)C(=O)CCC(=O)O

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Specifications

PubChem CID	75717
CAS	2564-95-6
Molecular Weight (g/mol)	145.158
MDL Number	MFCD00043505
SMILES	CN(C)C(=O)CCC(=O)O
Synonym	n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl
IUPAC Name	4-(dimethylamino)-4-oxobutanoic acid
InChI Key	WAIGPJMZARQZDX-UHFFFAOYSA-N
Molecular Formula	C6H11NO3

148

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N-Benzyloxycarbonyl-6-aminohexanoic acid, 98%

CAS: 1947-00-8 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD00004423 InChI Key: RXQDBVWDABAAHL-UHFFFAOYSA-N Synonym: z-6-aminohexanoic acid,z-epsilon-acp-oh,6-benzyloxy carbonyl amino hexanoic acid,n-benzyloxycarbonyl-6-aminocaproic acid,cbz-,a-aminocaproic acid,n-cbz-6-aminohexanoic acid,n-benzyloxycarbonyl-6-aminohexanoic acid,n-carbobenzoxy-epsilon-aminocaproic acid,6-phenylmethoxy carbonyl amino hexanoic acid PubChem CID: 74758 IUPAC Name: 6-(phenylmethoxycarbonylamino)hexanoic acid SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	74758
CAS	1947-00-8
Molecular Weight (g/mol)	265.309
MDL Number	MFCD00004423
SMILES	C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O
Synonym	z-6-aminohexanoic acid,z-epsilon-acp-oh,6-benzyloxy carbonyl amino hexanoic acid,n-benzyloxycarbonyl-6-aminocaproic acid,cbz-,a-aminocaproic acid,n-cbz-6-aminohexanoic acid,n-benzyloxycarbonyl-6-aminohexanoic acid,n-carbobenzoxy-epsilon-aminocaproic acid,6-phenylmethoxy carbonyl amino hexanoic acid
IUPAC Name	6-(phenylmethoxycarbonylamino)hexanoic acid
InChI Key	RXQDBVWDABAAHL-UHFFFAOYSA-N
Molecular Formula	C14H19NO4

149

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7-Phenylheptanoic acid, 97%

CAS: 40228-90-8 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00037801 InChI Key: ZVSXKFNTWOIGJI-UHFFFAOYSA-N Synonym: benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc PubChem CID: 520987 IUPAC Name: 7-phenylheptanoic acid SMILES: C1=CC=C(C=C1)CCCCCCC(=O)O

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Specifications

PubChem CID	520987
CAS	40228-90-8
Molecular Weight (g/mol)	206.285
MDL Number	MFCD00037801
SMILES	C1=CC=C(C=C1)CCCCCCC(=O)O
Synonym	benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc
IUPAC Name	7-phenylheptanoic acid
InChI Key	ZVSXKFNTWOIGJI-UHFFFAOYSA-N
Molecular Formula	C13H18O2

150

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5-Methylhexanoic acid, 98%

CAS: 628-46-6 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00036494 InChI Key: MHPUGCYGQWGLJL-UHFFFAOYSA-N Synonym: isoheptanoic acid,isoenanthic acid,5-methylcaproic acid,isoamylacetic acid,hexanoic acid, 5-methyl,isovenanthic acid,5-methylhexylic acid,5-methyl-hexanoic acid,5-methyl hexanoic acid,unii-n1ak4x34c2 PubChem CID: 12344 IUPAC Name: 5-methylhexanoic acid SMILES: CC(C)CCCC(O)=O

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Specifications

PubChem CID	12344
CAS	628-46-6
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00036494
SMILES	CC(C)CCCC(O)=O
Synonym	isoheptanoic acid,isoenanthic acid,5-methylcaproic acid,isoamylacetic acid,hexanoic acid, 5-methyl,isovenanthic acid,5-methylhexylic acid,5-methyl-hexanoic acid,5-methyl hexanoic acid,unii-n1ak4x34c2
IUPAC Name	5-methylhexanoic acid
InChI Key	MHPUGCYGQWGLJL-UHFFFAOYSA-N
Molecular Formula	C7H14O2

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