3-Methyl-ζ-oxobenzeneheptanoic acid

CAS Registry Number®

898765-39-4
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CAS Name

3-Methyl-ζ-oxobenzeneheptanoic acid

Molecular Formula

C14H18O3

Molecular Mass

234.29

Cite this Page

3-Methyl-ζ-oxobenzeneheptanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898765-39-4 (retrieved 2024-09-07) (CAS RN: 898765-39-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18O3/c1-11-6-5-7-12(10-11)13(15)8-3-2-4-9-14(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)

InChIKey

InChIKey=SLFHIHVSMDFRPB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneheptanoic acid, 3-methyl-ζ-oxo-
  • 3-Methyl-ζ-oxobenzeneheptanoic acid