Benzoylacetic acid

CAS Registry Number®

614-20-0

CAS Name

Benzoylacetic acid

Molecular Formula

C9H8O3

Molecular Mass

164.16

Cite this Page

Benzoylacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=614-20-0 (retrieved 2024-11-22) (CAS RN: 614-20-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)

InChIKey

InChIKey=HXUIDZOMTRMIOE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(=O)C=1C=CC=CC1

Other Names for this Substance

  • Benzenepropanoic acid, β-oxo-
  • Acetic acid, benzoyl-
  • β-Oxobenzenepropanoic acid
  • Hydrocinnamic acid, β-oxo-
  • Benzoylacetic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration