CID 5476804

Base Information

• Chemical Name: CID 5476804
• CAS No.: 13939-11-2
• Molecular Formula: C34 H34 N4O6 Zn . 2 H
• Molecular Weight: 661.06
• NSC Number: 267087
• Mol file: 13939-11-2.mol

Synonyms:NSC267087;NSC-267087

Chemical Property of CID 5476804

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1180.2°Cat760mmHg
• Flash Point: 667.6°C
• PSA: 134.78000
• Density: g/cm³
• LogP: 1.14290
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 660.192627
• Heavy Atom Count: 45
• Complexity: 1400

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)C(C)O)[N-]4)C)C(C)O)C)CCC(=O)O)CCC(=O)O.[Zn]
• Isomeric SMILES: CC\1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C)C(C)O)/[N-]4)C)C(C)O)C)CCC(=O)O)CCC(=O)O.[Zn]