Calcium 2-Oxo-2-Phenylacetate
[CAS# 52009-50-4]

Identification

• Name: Calcium 2-Oxo-2-Phenylacetate
• Synonyms: Calcium 2-Oxo-2-Phenyl-Acetate; Calcium 2-Keto-2-Phenyl-Acetate; Calcium 2-Oxo-2-Phenyl-Ethanoate
• Molecular Formula: C₈H₅CaO₃
• Molecular Weight: 189.21
• CAS Registry Number: 52009-50-4
• EINECS: 257-601-8
• SMILES: C1=C(C(=O)C([O-])=O)C=CC=C1.[Ca++]
• InChI: 1S/C8H6O3.Ca/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+2/p-1
• InChIKey: XVTFFPBOQGQPSR-UHFFFAOYSA-M

Properties

• Boiling point: 258.6°C at 760 mmHg (Cal.)
• Flash point: 124.4°C (Cal.)