Calcium bis(phenylacetate)

Base Information

• Chemical Name: Calcium bis(phenylacetate)
• CAS No.: 52009-49-1
• Molecular Formula: C8H8 O2 . 1/2 Ca
• Molecular Weight: 310.363
• Hs Code.: 2916340090
• European Community (EC) Number: 257-600-2
• DSSTox Substance ID: DTXSID20199980
• Nikkaji Number: J279.421G
• Mol file: 52009-49-1.mol

Synonyms:Calcium bis(phenylacetate);52009-49-1;EINECS 257-600-2;calcium;2-phenylacetate;SCHEMBL4446334;DTXSID20199980

Chemical Property of Calcium bis(phenylacetate)

Chemical Property:

• Melting Point: 76.5oC
• Boiling Point: 265.5 deg at 760 mm Hg
• PSA: 80.26000
• LogP: -0.04200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 310.0517998
• Heavy Atom Count: 21
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-].[Ca+2]