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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-ISOBUTYLPHENYL)PROPIONIC ACID, (R)-

SMILES

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

InChI

InChIKey=SFVKLYXPBKITCE-SNVBAGLBSA-N
InChI=1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
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 08:37:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:05 GMT 2023
Record UNII
IEV418873M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-ISOBUTYLPHENYL)PROPIONIC ACID, (R)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-3-(2-METHYLPROPYL)-, (.ALPHA.R)-
Common Name English
Code System Code Type Description
CAS
533931-39-4
Created by admin on Sat Dec 16 08:37:05 GMT 2023 , Edited by admin on Sat Dec 16 08:37:05 GMT 2023
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FDA UNII
IEV418873M
Created by admin on Sat Dec 16 08:37:05 GMT 2023 , Edited by admin on Sat Dec 16 08:37:05 GMT 2023
PRIMARY
PUBCHEM
13174443
Created by admin on Sat Dec 16 08:37:05 GMT 2023 , Edited by admin on Sat Dec 16 08:37:05 GMT 2023
PRIMARY