5-Fluoro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

951885-04-4
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CAS Name

5-Fluoro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid

Molecular Formula

C13H15FO3

Molecular Mass

238.25

Cite this Page

5-Fluoro-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=951885-04-4 (retrieved 2024-09-06) (CAS RN: 951885-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15FO3/c1-8-4-5-9(14)6-10(8)11(15)7-13(2,3)12(16)17/h4-6H,7H2,1-3H3,(H,16,17)

InChIKey

InChIKey=CJVKMHBZHYKNFP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 5-fluoro-α,α,2-trimethyl-γ-oxo-
  • 5-Fluoro-α,α,2-trimethyl-γ-oxobenzenebutanoic acid