Calcium di((Z)-9-octadecenyl) diphosphonate

Base Information

• Chemical Name: Calcium di((Z)-9-octadecenyl) diphosphonate
• CAS No.: 61392-16-3
• Molecular Formula: C18H37 O3 P . 1/2 Ca
• Molecular Weight: 856.890964
• European Community (EC) Number: 262-764-3
• Mol file: 61392-16-3.mol

Synonyms:Calcium di((Z)-9-octadecenyl) diphosphonate;EINECS 262-764-3;61392-16-3;Calcium di[(Z)-9-octadecenyl] diphosphonate;C18H37O3P.1/2Ca;C18-H37-O3-P.1/2Ca;Calcium di[(Z)-9-octadecenyl]diphosphonate

Chemical Property of Calcium di((Z)-9-octadecenyl) diphosphonate

Chemical Property:

• Vapor Pressure: 1.02E-16mmHg at 25°C
• Boiling Point: 615.2°C at 760 mmHg
• Flash Point: 325.9°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 30
• Exact Mass: 856.3287164
• Heavy Atom Count: 53
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCCC=CCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2]
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2]

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