α-Oxo-3-(trifluoromethyl)benzeneacetic acid

CAS Registry Number®

61560-95-0
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CAS Name

α-Oxo-3-(trifluoromethyl)benzeneacetic acid

Molecular Formula

C9H5F3O3

Molecular Mass

218.13

Cite this Page

α-Oxo-3-(trifluoromethyl)benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61560-95-0 (retrieved 2024-09-08) (CAS RN: 61560-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    91.5-92.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5F3O3/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4H,(H,14,15)

InChIKey

InChIKey=APJFBBHXNCTOGI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-
  • α-Oxo-3-(trifluoromethyl)benzeneacetic acid
  • 3-(Trifluoromethyl)phenylglyoxylic acid
  • 2-[3-(Trifluoromethyl)phenyl]-2-oxoacetic acid
  • 2-Oxo-2-[3-(trifluoromethyl)phenyl]acetic acid