Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-

Base Information

• Chemical Name: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
• CAS No.: 119056-58-5
• Molecular Formula: C24H17 N O6
• Molecular Weight: 415.3949
• DSSTox Substance ID: DTXSID50152306
• Wikidata: Q83018927
• Mol file: 119056-58-5.mol

Synonyms:Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-;119056-58-5;4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol diacetate (ester), cis-;DTXSID50152306

Chemical Property of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-

Chemical Property:

• Vapor Pressure: 2.45E-14mmHg at 25°C
• Boiling Point: 599.6°Cat760mmHg
• Flash Point: 242.5°C
• Density: 1.44g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 415.10558726
• Heavy Atom Count: 31
• Complexity: 749

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(C2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)[N+](=O)[O-])OC(=O)C
• Isomeric SMILES: CC(=O)O[C@H]1[C@H](C2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)[N+](=O)[O-])OC(=O)C