3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid

CAS Registry Number®

898767-22-1
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CAS Name

3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid

Molecular Formula

C14H17BrO3

Molecular Mass

313.19

Cite this Page

3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898767-22-1 (retrieved 2024-06-24) (CAS RN: 898767-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17BrO3/c1-10-7-8-11(9-12(10)15)13(16)5-3-2-4-6-14(17)18/h7-9H,2-6H2,1H3,(H,17,18)

InChIKey

InChIKey=WNACFNCYKMKAKX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneheptanoic acid, 3-bromo-4-methyl-ζ-oxo-
  • 3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid

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