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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2813
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-ISOBUTYLPHENYL)PROPANOIC ACID

SMILES

CC(C)Cc1ccc(cc1)CCC(=O)O

InChI

InChIKey=DYNVRFFVBZVRND-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2813
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
An innovative approach to the analysis of 3-[4-(2-methylpropyl)phenyl]propanoic acid as an impurity of ibuprofen on a carbon-coated zirconia stationary phase.
2009 Jul 12
Substance Class Chemical
Created
by admin
on Sat Jun 26 13:48:31 UTC 2021
Edited
by admin
on Sat Jun 26 13:48:31 UTC 2021
Record UNII
35B9MX4RIO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-ISOBUTYLPHENYL)PROPANOIC ACID
USP-RS  
Systematic Name English
3-(4'-ISOBUTYLPHENYL)PROPIONIC ACID
Common Name English
IBUPROFEN SPECIFIED IMPURITY F [EP]
Common Name English
3-(4-(2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
3-(P-ISOBUTYLPHENYL)PROPIONIC ACID
Common Name English
BENZENEPROPANOIC ACID, 4-(2-METHYLPROPYL)-
Common Name English
Code System Code Type Description
EPA CompTox
65322-85-2
Created by admin on Sat Jun 26 13:48:31 UTC 2021 , Edited by admin on Sat Jun 26 13:48:31 UTC 2021
PRIMARY
FDA UNII
35B9MX4RIO
Created by admin on Sat Jun 26 13:48:31 UTC 2021 , Edited by admin on Sat Jun 26 13:48:31 UTC 2021
PRIMARY
PUBCHEM
9834277
Created by admin on Sat Jun 26 13:48:31 UTC 2021 , Edited by admin on Sat Jun 26 13:48:31 UTC 2021
PRIMARY
CAS
65322-85-2
Created by admin on Sat Jun 26 13:48:31 UTC 2021 , Edited by admin on Sat Jun 26 13:48:31 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP