β,3-Dimethyl-δ-oxobenzenepentanoic acid

CAS Registry Number®

845781-36-4
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CAS Name

β,3-Dimethyl-δ-oxobenzenepentanoic acid

Molecular Formula

C13H16O3

Molecular Mass

220.26

Cite this Page

β,3-Dimethyl-δ-oxobenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845781-36-4 (retrieved 2024-08-28) (CAS RN: 845781-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-9-4-3-5-11(6-9)12(14)7-10(2)8-13(15)16/h3-6,10H,7-8H2,1-2H3,(H,15,16)

InChIKey

InChIKey=PKXDEXNTZYEKAT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, β,3-dimethyl-δ-oxo-
  • β,3-Dimethyl-δ-oxobenzenepentanoic acid