3-KETOHEXANOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O3
Molecular Weight	130.1418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-KETOHEXANOIC ACID

Structure Search

SMILES

CCCC(=O)CC(O)=O

InChI

InChIKey=BDCLDNALSPBWPQ-UHFFFAOYSA-N

InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C6H10O3
Molecular Weight	130.1418
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:44:54 GMT 2025` Edited by `admin` on `Wed Apr 02 06:44:54 GMT 2025`
Record UNII	GE57VKD6VZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-OXO-HEXANOIC ACID

Preferred Name

English

3-KETOHEXANOIC ACID

Systematic Name

English

HEXANOIC ACID, 3-OXO-

Common Name

English

3-OXOHEXANOIC ACID

Common Name

English

3-OXIDANYLIDENEHEXANOIC ACID

Systematic Name

English

BUTANOYLACETIC ACID

Systematic Name

English

Code System Code Type Description

CHEBI

28422

Created by admin on Wed Apr 02 06:44:54 GMT 2025 , Edited by admin on Wed Apr 02 06:44:54 GMT 2025

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CAS

4380-91-0

Created by admin on Wed Apr 02 06:44:54 GMT 2025 , Edited by admin on Wed Apr 02 06:44:54 GMT 2025

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EPA CompTox

DTXSID20331429

Created by admin on Wed Apr 02 06:44:54 GMT 2025 , Edited by admin on Wed Apr 02 06:44:54 GMT 2025

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FDA UNII

GE57VKD6VZ

Created by admin on Wed Apr 02 06:44:54 GMT 2025 , Edited by admin on Wed Apr 02 06:44:54 GMT 2025

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PUBCHEM

439658

Created by admin on Wed Apr 02 06:44:54 GMT 2025 , Edited by admin on Wed Apr 02 06:44:54 GMT 2025

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