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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O2
Molecular Weight 206.2813
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)Cc1cccc(c1)C(C)C(=O)O

InChI

InChIKey=SFVKLYXPBKITCE-UHFFFAOYSA-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)

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2813
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:30:13 UTC 2021
Edited
by admin
on Sat Jun 26 03:30:13 UTC 2021
Record UNII
JIL536872H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-ISOBUTYLPHENYL)PROPIONIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-3-(2-METHYLPROPYL)-
Common Name English
.ALPHA.-(3-ISOBUTYLPHENYL)PROPIONIC ACID
Systematic Name English
.ALPHA.-METHYL-3-(2-METHYLPROPYL)PHENYLACETIC ACID
Systematic Name English
IBUPROFEN SPECIFIED IMPURITY A [EP]
Common Name English
(2RS)-2-(3-(2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
JIL536872H
Created by admin on Sat Jun 26 03:30:13 UTC 2021 , Edited by admin on Sat Jun 26 03:30:13 UTC 2021
PRIMARY
PUBCHEM
11424295
Created by admin on Sat Jun 26 03:30:13 UTC 2021 , Edited by admin on Sat Jun 26 03:30:13 UTC 2021
PRIMARY
CAS
66622-47-7
Created by admin on Sat Jun 26 03:30:13 UTC 2021 , Edited by admin on Sat Jun 26 03:30:13 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP