Calcium cinnamate

Base Information

• Chemical Name: Calcium cinnamate
• CAS No.: 588-62-5
• Molecular Formula: C18H14CaO4
• Molecular Weight: 334.38
• European Community (EC) Number: 209-622-9
• Nikkaji Number: J188.456E,J43.262H
• Mol file: 588-62-5.mol

Synonyms:Calcium cinnamate;588-62-5;calcium;(E)-3-phenylprop-2-enoate;EINECS 209-622-9;calciumcinnamate;Dicinnamic acid calcium salt;SCHEMBL122244;C9H8O2.1/2Ca;C9-H8-O2.1/2Ca;Bis(3-phenylpropenoic acid)calcium salt

Chemical Property of Calcium cinnamate

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• Boiling Point: 265 °C at 760 mmHg
• Flash Point: 189.5 °C
• PSA: 52.60000
• LogP: 3.41460
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 334.0517998
• Heavy Atom Count: 23
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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