Benzo(a)pyrene-3,9-diol, 6-nitro-

Base Information

• Chemical Name: Benzo(a)pyrene-3,9-diol, 6-nitro-
• CAS No.: 82039-12-1
• Molecular Formula: C20H11NO4
• Molecular Weight: 329.3056
• DSSTox Substance ID: DTXSID10231545
• Wikidata: Q83112489
• Mol file: 82039-12-1.mol

Synonyms:Benzo(a)pyrene-3,9-diol, 6-nitro-;82039-12-1;C20H11NO4;DTXSID10231545;C20-H11-N-O4

Chemical Property of Benzo(a)pyrene-3,9-diol, 6-nitro-

Chemical Property:

• Vapor Pressure: 3.87E-17mmHg at 25°C
• Boiling Point: 643.2°Cat760mmHg
• Flash Point: 265.5°C
• Density: 1.607g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 329.06880783
• Heavy Atom Count: 25
• Complexity: 548

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C=C(C=CC3=C(C4=C2C5=C1C=CC(=C5C=C4)O)[N+](=O)[O-])O