Phenethyl 4-oxovalerate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O3
Molecular Weight	220.2643
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Phenethyl 4-oxovalerate

Structure Search

SMILES

CC(=O)CCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=FJEDCBJSNFURKI-UHFFFAOYSA-N

InChI=1S/C13H16O3/c1-11(14)7-8-13(15)16-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H16O3
Molecular Weight	220.2643
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 18:53:11 GMT 2025` Edited by `admin` on `Tue Apr 01 18:53:11 GMT 2025`
Record UNII	ZNF7F9XB7B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Phenethyl 4-oxovalerate

Systematic Name

English

2-Phenylethyl 4-oxopentanoate

Preferred Name

English

Pentanoic acid, 4-oxo-, 2-phenylethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

104653

Created by admin on Tue Apr 01 18:53:11 GMT 2025 , Edited by admin on Tue Apr 01 18:53:11 GMT 2025

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FDA UNII

ZNF7F9XB7B

Created by admin on Tue Apr 01 18:53:11 GMT 2025 , Edited by admin on Tue Apr 01 18:53:11 GMT 2025

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ECHA (EC/EINECS)

258-877-2

Created by admin on Tue Apr 01 18:53:11 GMT 2025 , Edited by admin on Tue Apr 01 18:53:11 GMT 2025

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EPA CompTox

DTXSID20202226

Created by admin on Tue Apr 01 18:53:11 GMT 2025 , Edited by admin on Tue Apr 01 18:53:11 GMT 2025

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CAS

53939-81-4

Created by admin on Tue Apr 01 18:53:11 GMT 2025 , Edited by admin on Tue Apr 01 18:53:11 GMT 2025

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