5-METHYL-4-OXOHEXANOIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O3
Molecular Weight	144.1684
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-4-OXOHEXANOIC ACID

Structure Search

SMILES

CC(C)C(=O)CCC(O)=O

InChI

InChIKey=GQWLYLDUDAANSJ-UHFFFAOYSA-N

InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H12O3
Molecular Weight	144.1684
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:36:08 GMT 2025` Edited by `admin` on `Mon Mar 31 19:36:08 GMT 2025`
Record UNII	GU2B5382AF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-331769

Preferred Name

English

5-METHYL-4-OXOHEXANOIC ACID

Systematic Name

English

5-METHYL-4-OXO-HEXANOIC ACID

Systematic Name

English

4-OXO-5-METHYLHEXANOIC ACID

Systematic Name

English

HEXANOIC ACID, 5-METHYL-4-OXO-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60194474

Created by admin on Mon Mar 31 19:36:08 GMT 2025 , Edited by admin on Mon Mar 31 19:36:08 GMT 2025

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NSC

331769

Created by admin on Mon Mar 31 19:36:08 GMT 2025 , Edited by admin on Mon Mar 31 19:36:08 GMT 2025

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FDA UNII

GU2B5382AF

Created by admin on Mon Mar 31 19:36:08 GMT 2025 , Edited by admin on Mon Mar 31 19:36:08 GMT 2025

PRIMARY

PUBCHEM

38934

Created by admin on Mon Mar 31 19:36:08 GMT 2025 , Edited by admin on Mon Mar 31 19:36:08 GMT 2025

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CAS

41654-04-0

Created by admin on Mon Mar 31 19:36:08 GMT 2025 , Edited by admin on Mon Mar 31 19:36:08 GMT 2025

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