3-Bromo-4-methyl-δ-oxobenzenepentanoic acid

CAS Registry Number®

898767-16-3
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CAS Name

3-Bromo-4-methyl-δ-oxobenzenepentanoic acid

Molecular Formula

C12H13BrO3

Molecular Mass

285.13

Cite this Page

3-Bromo-4-methyl-δ-oxobenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898767-16-3 (retrieved 2024-08-07) (CAS RN: 898767-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13BrO3/c1-8-5-6-9(7-10(8)13)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)

InChIKey

InChIKey=DTQYIFPSTDECKF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 3-bromo-4-methyl-δ-oxo-
  • 3-Bromo-4-methyl-δ-oxobenzenepentanoic acid