2-Methyl-ε-oxobenzenehexanoic acid
CAS Registry Number®
107151-33-7
CAS Name
2-Methyl-ε-oxobenzenehexanoic acidMolecular Formula
C13H16O3Molecular Mass
220.26Cite 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 ) (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
