4-Chloro-3-methyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

54557-91-4

CAS Name

4-Chloro-3-methyl-γ-oxobenzenebutanoic acid

Molecular Formula

C11H11ClO3

Molecular Mass

226.66

Cite this Page

4-Chloro-3-methyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54557-91-4 (retrieved 2024-12-02) (CAS RN: 54557-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117.3-118.1 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H11ClO3/c1-7-6-8(2-3-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

InChIKey

InChIKey=HECCMMXKNZDUIU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 4-chloro-3-methyl-γ-oxo-
  • Propionic acid, 3-(4-chloro-m-toluoyl)-
  • 4-Chloro-3-methyl-γ-oxobenzenebutanoic acid
  • 3-(3-Methyl-4-chlorobenzoyl)propionic acid

CAS INSIGHTSTM
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