Propyl 2,4-dioxovalerate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H12O4
Molecular Weight	172.1785
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Propyl 2,4-dioxovalerate

Structure Search

SMILES

CCCOC(=O)C(=O)CC(C)=O

InChI

InChIKey=JTIYNCLFBJDPQN-UHFFFAOYSA-N

InChI=1S/C8H12O4/c1-3-4-12-8(11)7(10)5-6(2)9/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H12O4
Molecular Weight	172.1785
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 `Tue Apr 01 18:49:46 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:46 GMT 2025`
Record UNII	6SP3JAD4EE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Propyl 2,4-dioxovalerate

Systematic Name

English

Pentanoic acid, 2,4-dioxo-, propyl ester

Preferred Name

English

Propyl 2,4-dioxopentanoate

Systematic Name

English

Code System Code Type Description

FDA UNII

6SP3JAD4EE

Created by admin on Tue Apr 01 18:49:47 GMT 2025 , Edited by admin on Tue Apr 01 18:49:47 GMT 2025

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CAS

39526-01-7

Created by admin on Tue Apr 01 18:49:47 GMT 2025 , Edited by admin on Tue Apr 01 18:49:47 GMT 2025

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EPA CompTox

DTXSID80192654

Created by admin on Tue Apr 01 18:49:47 GMT 2025 , Edited by admin on Tue Apr 01 18:49:47 GMT 2025

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ECHA (EC/EINECS)

254-493-4

Created by admin on Tue Apr 01 18:49:47 GMT 2025 , Edited by admin on Tue Apr 01 18:49:47 GMT 2025

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PUBCHEM

3016084

Created by admin on Tue Apr 01 18:49:47 GMT 2025 , Edited by admin on Tue Apr 01 18:49:47 GMT 2025

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