3-Bromo-5-methyl-δ-oxobenzenepentanoic acid

CAS Registry Number®

898767-46-9
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CAS Name

3-Bromo-5-methyl-δ-oxobenzenepentanoic acid

Molecular Formula

C12H13BrO3

Molecular Mass

285.13

Cite this Page

3-Bromo-5-methyl-δ-oxobenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898767-46-9 (retrieved 2024-09-08) (CAS RN: 898767-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PQQBTQSZXMPEQW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 3-bromo-5-methyl-δ-oxo-
  • 3-Bromo-5-methyl-δ-oxobenzenepentanoic acid