2-Methyl-4-phenylbutanoic acid, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-4-phenylbutanoic acid, (S)-

Structure Search

SMILES

C[C@@H](CCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=OCKZHEXBLOOGOC-VIFPVBQESA-N

InChI=1S/C11H14O2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:05:13 GMT 2025` Edited by `admin` on `Wed Apr 02 21:05:13 GMT 2025`
Record UNII	ST5QPF69VU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-2-Methyl-4-phenylbutanoic acid

Preferred Name

English

2-Methyl-4-phenylbutanoic acid, (S)-

Systematic Name

English

?-Methylbenzenebutanoic acid, (?S)-

Systematic Name

English

Benzenebutanoic acid, ?-methyl-, (?S)-

Systematic Name

English

(?S)-?-Methylbenzenebutanoic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

ST5QPF69VU

Created by admin on Wed Apr 02 21:05:13 GMT 2025 , Edited by admin on Wed Apr 02 21:05:13 GMT 2025

PRIMARY

PUBCHEM

12473714

Created by admin on Wed Apr 02 21:05:13 GMT 2025 , Edited by admin on Wed Apr 02 21:05:13 GMT 2025

PRIMARY

CAS

41927-29-1

Created by admin on Wed Apr 02 21:05:13 GMT 2025 , Edited by admin on Wed Apr 02 21:05:13 GMT 2025

PRIMARY

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