Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-

Base Information

• Chemical Name: Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-
• CAS No.: 119056-55-2
• Molecular Formula: C18H13 N O4
• Molecular Weight: 307.3001
• DSSTox Substance ID: DTXSID00922859
• Wikidata: Q82896611
• Mol file: 119056-55-2.mol

Synonyms:5,6-Dihydro-7-nitrobenz(a)anthracene-5,6-diol cis-;119056-55-2;Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-;DTXSID00922859;7-Nitro-5,6-dihydrotetraphene-5,6-diol

Chemical Property of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-

Chemical Property:

• Vapor Pressure: 1.39E-12mmHg at 25°C
• Boiling Point: 542.1°Cat760mmHg
• Flash Point: 225.3°C
• Density: 1.491g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 307.08445790
• Heavy Atom Count: 23
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C(C(C3=C2[N+](=O)[O-])O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4[C@@H]([C@@H](C3=C2[N+](=O)[O-])O)O