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Details

Stereochemistry MIXED
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID

SMILES

CCC(C)C1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=OWMZINYEXURWLF-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-4-9(2)11-5-7-12(8-6-11)10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(P-SEC-BUTYLPHENYL)PROPIONIC ACID
Preferred Name English
2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
HYDRATROPIC ACID, P-SEC-BUTYL-
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(1-METHYLPROPYL)-
Common Name English
IBUPROFEN IMPURITY O [EP IMPURITY]
Common Name English
(±)-2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
935Y3B0W8X
Created by admin on Mon Mar 31 21:53:56 GMT 2025 , Edited by admin on Mon Mar 31 21:53:56 GMT 2025
PRIMARY
CAS
64451-76-9
Created by admin on Mon Mar 31 21:53:56 GMT 2025 , Edited by admin on Mon Mar 31 21:53:56 GMT 2025
PRIMARY
PUBCHEM
562967
Created by admin on Mon Mar 31 21:53:56 GMT 2025 , Edited by admin on Mon Mar 31 21:53:56 GMT 2025
PRIMARY
NIH
NCATS
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