CAS Registry Number®
51828-93-4
CAS Name
Benzenepropanoic acid, α-oxo-, calcium salt
Molecular Formula
C9H8O3.1/2Ca
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
