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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-BUTYLHYDRATROPIC ACID

SMILES

CCCCC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=FEFPDZIYEWFQFK-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
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 Dec 16 08:37:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:04 GMT 2023
Record UNII
KSG3G9J7OY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-BUTYLHYDRATROPIC ACID
Common Name English
(2RS)-2-(4-BUTYLPHENYL)PROPANOIC ACID
Systematic Name English
BENZENEACETIC ACID, 4-BUTYL-.ALPHA.-METHYL-
Common Name English
2-(P-BUTYLPHENYL)PROPIONIC ACID
Common Name English
2-(4-N-BUTYLPHENYL)PROPIONIC ACID
Common Name English
IBUPROFEN IMPURITY B [EP IMPURITY]
Common Name English
4-BUTYL-.ALPHA.-METHYLBENZENEACETIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
12046192
Created by admin on Sat Dec 16 08:37:04 GMT 2023 , Edited by admin on Sat Dec 16 08:37:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID901299877
Created by admin on Sat Dec 16 08:37:04 GMT 2023 , Edited by admin on Sat Dec 16 08:37:04 GMT 2023
PRIMARY
FDA UNII
KSG3G9J7OY
Created by admin on Sat Dec 16 08:37:04 GMT 2023 , Edited by admin on Sat Dec 16 08:37:04 GMT 2023
PRIMARY
CAS
3585-49-7
Created by admin on Sat Dec 16 08:37:04 GMT 2023 , Edited by admin on Sat Dec 16 08:37:04 GMT 2023
PRIMARY