2-Methyl-ε-oxobenzenehexanoic acid

CAS Registry Number®

107151-33-7
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CAS Name

2-Methyl-ε-oxobenzenehexanoic acid

Molecular Formula

C13H16O3

Molecular Mass

220.26

Cite this Page

2-Methyl-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107151-33-7 (retrieved 2024-09-08) (CAS RN: 107151-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-10-6-2-3-7-11(10)12(14)8-4-5-9-13(15)16/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16)

InChIKey

InChIKey=SBYKYOKRTBCYTI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCCC(=O)C=1C=CC=CC1C

Other Names for this Substance

  • Benzenehexanoic acid, 2-methyl-ε-oxo-
  • Valeric acid, 5-o-toluoyl-
  • 2-Methyl-ε-oxobenzenehexanoic acid