4-(3-Oxobutyl)benzoic acid

CAS Registry Number®

74248-66-1
No image available.

CAS Name

4-(3-Oxobutyl)benzoic acid

Molecular Formula

C11H12O3

Molecular Mass

192.21

Cite this Page

4-(3-Oxobutyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74248-66-1 (retrieved 2024-09-07) (CAS RN: 74248-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120.5-123.0 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H12O3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)

InChIKey

InChIKey=PJLBHTNCHZROBQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(3-oxobutyl)-
  • 4-(3-Oxobutyl)benzoic acid
  • 4-(4-Carboxyphenyl)-2-butanone