3-Bromo-4-methyl-ε-oxobenzenehexanoic acid

CAS Registry Number®

898767-19-6
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CAS Name

3-Bromo-4-methyl-ε-oxobenzenehexanoic acid

Molecular Formula

C13H15BrO3

Molecular Mass

299.16

Cite this Page

3-Bromo-4-methyl-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898767-19-6 (retrieved 2024-08-17) (CAS RN: 898767-19-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15BrO3/c1-9-6-7-10(8-11(9)14)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)

InChIKey

InChIKey=GDSZAEHWDVNMOC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenehexanoic acid, 3-bromo-4-methyl-ε-oxo-
  • 3-Bromo-4-methyl-ε-oxobenzenehexanoic acid