4-METHYLHEXANOIC ACID

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H14O2
Molecular Weight	130.1849
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLHEXANOIC ACID

Structure Search

SMILES

CCC(C)CCC(O)=O

InChI

InChIKey=DIVCBWJKVSFZKJ-UHFFFAOYSA-N

InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C7H14O2
Molecular Weight	130.1849
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:44:54 GMT 2023` Edited by `admin` on `Sat Dec 16 11:44:54 GMT 2023`
Record UNII	E1R4C4A1NO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLHEXANOIC ACID

Systematic Name

English

NSC-249817

Code

English

4-METHYLHEXANOIC ACID, (±)-

Systematic Name

English

4-ETHYLPENTANOIC ACID

Systematic Name

English

CAPROIC ACID, .GAMMA.-METHYL-

Systematic Name

English

HEXANOIC ACID, 4-METHYL-

Systematic Name

English

4-METHYLCAPROIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70862692

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

CAS

1561-11-1

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

ECHA (EC/EINECS)

216-336-8

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

FDA UNII

E1R4C4A1NO

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

NSC

249817

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

PUBCHEM

15271

Created by admin on Sat Dec 16 11:44:54 GMT 2023 , Edited by admin on Sat Dec 16 11:44:54 GMT 2023

PRIMARY

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4-METHYLHEXANOIC ACID, (4S)-

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Amount: