3-Bromo-4-methyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

62903-07-5
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CAS Name

3-Bromo-4-methyl-γ-oxobenzenebutanoic acid

Molecular Formula

C11H11BrO3

Molecular Mass

271.11

Cite this Page

3-Bromo-4-methyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62903-07-5 (retrieved 2024-09-06) (CAS RN: 62903-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-171 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H11BrO3/c1-7-2-3-8(6-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

InChIKey

InChIKey=NXOCYNUARNHLTD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 3-bromo-4-methyl-γ-oxo-
  • 3-Bromo-4-methyl-γ-oxobenzenebutanoic acid