3-Methylbutanoic acid, phenyl ester

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methylbutanoic acid, phenyl ester

Structure Search

SMILES

CC(C)CC(=O)OC1=CC=CC=C1

InChI

InChIKey=GBXSANZZKSPQKM-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 11:26:41 GMT 2023` Edited by `admin` on `Sat Dec 16 11:26:41 GMT 2023`
Record UNII	T35CS6N8FL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylbutanoic acid, phenyl ester

Common Name

English

Butanoic acid, 3-methyl-, phenyl ester

Systematic Name

English

NSC-523856

Code

English

phenyl 3-methylbutanoate

Systematic Name

English

Code System Code Type Description

CAS

15806-38-9

Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023

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PUBCHEM

351848

Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023

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NSC

523856

Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023

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FDA UNII

T35CS6N8FL

Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023

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EPA CompTox

DTXSID00876469

Created by admin on Sat Dec 16 11:26:41 GMT 2023 , Edited by admin on Sat Dec 16 11:26:41 GMT 2023

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