3-BENZOYLPROPIONIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O3
Molecular Weight	178.1846
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-BENZOYLPROPIONIC ACID

Structure Search

SMILES

OC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChIKey=KMQLIDDEQAJAGJ-UHFFFAOYSA-N

InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C10H10O3
Molecular Weight	178.1846
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 11:16:19 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:19 GMT 2023`
Record UNII	UV05GZ4D9Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-BENZOYLPROPIONIC ACID

Common Name

English

NSC-229040

Code

English

BENZENEBUTANOIC ACID, .GAMMA.-OXO-

Common Name

English

PROPIONIC ACID, 3-BENZOYL-

Systematic Name

English

PHENYLBUTYRATE SODIUM IMPURITY A [EP IMPURITY]

Common Name

English

NSC-51010

Code

English

PHENYLBUTYRATE RELATED COMPOUND A [USP-RS]

Common Name

English

4-OXO-4-PHENYLBUTANOIC ACID

Common Name

English

NSC-2092

Code

English

Code System Code Type Description

NSC

229040

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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RS_ITEM_NUM

1614523

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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FDA UNII

UV05GZ4D9Z

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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CHEBI

64437

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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ECHA (EC/EINECS)

218-135-0

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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PUBCHEM

72871

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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NSC

2092

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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CAS

2051-95-8

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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NSC

51010

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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EPA CompTox

DTXSID4062149

Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023

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