3-Bromo-β-oxobenzenepropanoic acid

CAS Registry Number®

1000556-86-4
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CAS Name

3-Bromo-β-oxobenzenepropanoic acid

Molecular Formula

C9H7BrO3

Molecular Mass

243.05

Cite this Page

3-Bromo-β-oxobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000556-86-4 (retrieved 2024-07-29) (CAS RN: 1000556-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H7BrO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4H,5H2,(H,12,13)

InChIKey

InChIKey=SWMJEGPBNHRGBN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(=O)C=1C=CC=C(Br)C1

Other Names for this Substance

  • Benzenepropanoic acid, 3-bromo-β-oxo-
  • 3-Bromo-β-oxobenzenepropanoic acid
  • 3-(3-Bromophenyl)-3-oxopropanoic acid