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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)-

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

Approval Year

Unknown
149124
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
NIH
NCATS
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