4-Fluoro-α,α,3-trimethyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

951885-10-2
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CAS Name

4-Fluoro-α,α,3-trimethyl-γ-oxobenzenebutanoic acid

Molecular Formula

C13H15FO3

Molecular Mass

238.25

Cite this Page

4-Fluoro-α,α,3-trimethyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951885-10-2 (retrieved 2024-09-06) (CAS RN: 951885-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133.9-135.4 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XGDCCKPIIVMFGM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 4-fluoro-α,α,3-trimethyl-γ-oxo-
  • 4-Fluoro-α,α,3-trimethyl-γ-oxobenzenebutanoic acid
  • 2,2-Dimethyl-4-(4-fluoro-3-methylphenyl)-4-oxobutyric acid