Methyl 4-oxobutyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8O3
Molecular Weight	116.1152
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-oxobutyrate

Structure Search

SMILES

COC(=O)CCC=O

InChI

InChIKey=DLZVZNAPRCRXEG-UHFFFAOYSA-N

InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H8O3
Molecular Weight	116.1152
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 `Sat Dec 16 20:18:00 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:00 GMT 2023`
Record UNII	UVT6EYC4N3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-oxobutyrate

Systematic Name

English

Butanoic acid, 4-oxo-, methyl ester

Systematic Name

English

Methyl 4-oxobutanoate

Systematic Name

English

Code System Code Type Description

CAS

13865-19-5

Created by admin on Sat Dec 16 20:18:00 GMT 2023 , Edited by admin on Sat Dec 16 20:18:00 GMT 2023

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FDA UNII

UVT6EYC4N3

Created by admin on Sat Dec 16 20:18:00 GMT 2023 , Edited by admin on Sat Dec 16 20:18:00 GMT 2023

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EPA CompTox

DTXSID20160736

Created by admin on Sat Dec 16 20:18:00 GMT 2023 , Edited by admin on Sat Dec 16 20:18:00 GMT 2023

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ECHA (EC/EINECS)

237-611-9

Created by admin on Sat Dec 16 20:18:00 GMT 2023 , Edited by admin on Sat Dec 16 20:18:00 GMT 2023

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PUBCHEM

83779

Created by admin on Sat Dec 16 20:18:00 GMT 2023 , Edited by admin on Sat Dec 16 20:18:00 GMT 2023

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