4-Chloro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

951885-42-0
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CAS Name

4-Chloro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid

Molecular Formula

C13H15ClO3

Molecular Mass

254.71

Cite this Page

4-Chloro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951885-42-0 (retrieved 2024-08-15) (CAS RN: 951885-42-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15ClO3/c1-8-6-9(14)4-5-10(8)11(15)7-13(2,3)12(16)17/h4-6H,7H2,1-3H3,(H,16,17)

InChIKey

InChIKey=AUTDNITZXHLUQS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(C)(C)CC(=O)C1=CC=C(Cl)C=C1C

Other Names for this Substance

  • Benzenebutanoic acid, 4-chloro-α,α,2-trimethyl-γ-oxo-
  • 4-Chloro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid