Benzenepropanoic acid, α-oxo-, calcium salt

CAS Registry Number®

51828-93-4

CAS Name

Benzenepropanoic acid, α-oxo-, calcium salt

Molecular Formula

C9H8O3.1/2Ca

Molecular Mass

368.39

Cite this Page

Benzenepropanoic acid, α-oxo-, calcium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51828-93-4 (retrieved 2025-05-18) (CAS RN: 51828-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NNMACSYIOPGBTI-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)=O)C1=CC=CC=C1.[Ca]

Canonical SMILES

[Ca].O=C(O)C(=O)CC=1C=CC=CC1

Other Names for this Substance

  • Benzenepropanoic acid, α-oxo-, calcium salt (2:1)
  • Benzenepropanoic acid, α-oxo-, calcium salt
  • Phenylpyroracemic acid calcium salt
  • keto-Phenylalanine calcium
  • α-keto-Phenylalanine calcium

Deleted or Replaced CAS Registry Numbers

95017-03-1, 128075-87-6, 196884-14-7, 207735-54-4

CAS INSIGHTSTM
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