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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O3
Molecular Weight 206.2378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(p-Toluoyl)butyric acid

SMILES

CC1=CC=C(C=C1)C(=O)CCCC(O)=O

InChI

InChIKey=MCWLCBLXRSXGTF-UHFFFAOYSA-N
InChI=1S/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H14O3
Molecular Weight 206.2378
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:40:36 GMT 2025
Edited
by admin
on Tue Apr 01 18:40:36 GMT 2025
Record UNII
DA8HTW3SB7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(p-Toluoyl)butyric acid
Common Name English
4-P-TOLUOYLBUTYRIC ACID
Preferred Name English
4-Methyl-?-oxobenzenepentanoic acid
Common Name English
Benzenepentanoic acid, 4-methyl-?-oxo-
Common Name English
5-(4-Methylphenyl)-5-oxopentanoic acid
Systematic Name English
Butyric acid, 4-p-toluoyl-
Systematic Name English
5-Oxo-5-(p-tolyl)pentanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
DA8HTW3SB7
Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-632-6
Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID90232257
Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025
PRIMARY
PUBCHEM
70032
Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025
PRIMARY
CAS
833-85-2
Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025
PRIMARY