3-Benzyl-2,4-pentanedione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O2
Molecular Weight	190.2384
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Benzyl-2,4-pentanedione

Structure Search

SMILES

CC(=O)C(CC1=CC=CC=C1)C(C)=O

InChI

InChIKey=WAJQTBOWJRUOOO-UHFFFAOYSA-N

InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H14O2
Molecular Weight	190.2384
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 12:36:15 GMT 2023` Edited by `admin` on `Sat Dec 16 12:36:15 GMT 2023`
Record UNII	WC38C3PH26
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Benzyl-2,4-pentanedione

Systematic Name

English

2,4-Pentanedione, 3-(phenylmethyl)-

Systematic Name

English

2,4-Pentanedione, 3-benzyl-

Systematic Name

English

NSC-35139

Code

English

3-(Phenylmethyl)-2,4-pentanedione

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50150403

Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023

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CAS

1134-87-8

Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023

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PUBCHEM

97757

Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023

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NSC

35139

Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023

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FDA UNII

WC38C3PH26

Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023

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