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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID, (S)-

SMILES

CC(C)CC1=CC=C(C=C1)[C@](C)(O)C(O)=O

InChI

InChIKey=APEODKDQAWQDLW-ZDUSSCGKSA-N
InChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 Sat Dec 16 08:22:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:22:08 GMT 2023
Record UNII
B0I4CSC91N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID, (S)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (.ALPHA.S)-
Common Name English
Code System Code Type Description
FDA UNII
B0I4CSC91N
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
CAS
1262894-13-2
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
PUBCHEM
71587962
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY