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Substance Name: Calcium 2-oxo-3-phenylpropionate
RN: 51828-93-4
UNII: 7V9Q5UU79A
InChIKey: BKMMOJVSLBZNTK-UHFFFAOYSA-L

Molecular Formula

  • C9-H8-O3.1/2Ca

Molecular Weight

  • 366.3806
 
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Names and Synonyms

Name of Substance

  • Calcium 2-oxo-3-phenylpropionate

Synonyms

  • EINECS 257-455-5
  • UNII-7V9Q5UU79A

Systematic Name

  • Calcium bis(3-phenylpyruvate)

Registry Numbers

CAS Registry Number

  • 51828-93-4

FDA UNII

  • 7V9Q5UU79A

Related Registry Number

  • 156-06-9 (Parent)

System Generated Number

  • 0051828934

Molecular Formulas

Molecular Formula

  • C9-H8-O3.1/2Ca

Molecular Formula Fragments

  • C9-H8-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2

InChIKey

BKMMOJVSLBZNTK-UHFFFAOYSA-L

Smiles

c1ccc(cc1)CC(=O)C(=O)[O-].c1ccc(cc1)CC(=O)C(=O)[O-].[Ca+2]