1-Phenyl-1,2-butanedione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O2
Molecular Weight	162.1852
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Phenyl-1,2-butanedione

Structure Search

SMILES

CCC(=O)C(=O)C1=CC=CC=C1

InChI

InChIKey=PIRWSGXNBGFLEA-UHFFFAOYSA-N

InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H10O2
Molecular Weight	162.1852
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 12:21:56 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:56 GMT 2025`
Record UNII	WKX2KUZ8HH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Phenyl-1,2-butanedione

Systematic Name

English

NSC-1085

Preferred Name

English

1,2-Butanedione, 1-phenyl-

Systematic Name

English

Ethanedione, ethylphenyl-

Common Name

English

Ethylphenylglyoxal

Common Name

English

Code System Code Type Description

NSC

1085

Created by admin on Wed Apr 02 12:21:56 GMT 2025 , Edited by admin on Wed Apr 02 12:21:56 GMT 2025

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EPA CompTox

DTXSID40277193

Created by admin on Wed Apr 02 12:21:56 GMT 2025 , Edited by admin on Wed Apr 02 12:21:56 GMT 2025

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CAS

3457-55-4

Created by admin on Wed Apr 02 12:21:56 GMT 2025 , Edited by admin on Wed Apr 02 12:21:56 GMT 2025

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FDA UNII

WKX2KUZ8HH

Created by admin on Wed Apr 02 12:21:56 GMT 2025 , Edited by admin on Wed Apr 02 12:21:56 GMT 2025

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PUBCHEM

219605

Created by admin on Wed Apr 02 12:21:56 GMT 2025 , Edited by admin on Wed Apr 02 12:21:56 GMT 2025

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