4-OXOPENTANAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8O2
Molecular Weight	100.1158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-OXOPENTANAL

Structure Search

SMILES

CC(=O)CCC=O

InChI

InChIKey=KEHNRUNQZGRQHU-UHFFFAOYSA-N

InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H8O2
Molecular Weight	100.1158
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 `Mon Mar 31 19:00:46 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:46 GMT 2025`
Record UNII	BL58BK264G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTANAL, 4-OXO-

Preferred Name

English

4-OXOPENTANAL

Common Name

English

Code System Code Type Description

PUBCHEM

164702

Created by admin on Mon Mar 31 19:00:46 GMT 2025 , Edited by admin on Mon Mar 31 19:00:46 GMT 2025

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EPA CompTox

DTXSID60211655

Created by admin on Mon Mar 31 19:00:46 GMT 2025 , Edited by admin on Mon Mar 31 19:00:46 GMT 2025

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CAS

626-96-0

Created by admin on Mon Mar 31 19:00:46 GMT 2025 , Edited by admin on Mon Mar 31 19:00:46 GMT 2025

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FDA UNII

BL58BK264G

Created by admin on Mon Mar 31 19:00:46 GMT 2025 , Edited by admin on Mon Mar 31 19:00:46 GMT 2025

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CHEBI

87363

Created by admin on Mon Mar 31 19:00:46 GMT 2025 , Edited by admin on Mon Mar 31 19:00:46 GMT 2025

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