Benzo[a]pyrene-11,12-diol

Base Information

• Chemical Name: Benzo[a]pyrene-11,12-diol
• CAS No.: 65277-41-0
• Molecular Formula: C20H12 O2
• Molecular Weight: 284.31
• DSSTox Substance ID: DTXSID70215609
• Wikidata: Q27155519
• Mol file: 65277-41-0.mol

Synonyms:Benzo[a]pyrene-11,12-diol;Benzo(a)pyrene-11,12-diol;11,12-Dihydroxybenzo(a)pyrene;11,12-Dihydroxybenzo[a]pyrene;65277-41-0;SCHEMBL15476714;CHEBI:81631;DTXSID70215609;C18280;Q27155519

Chemical Property of Benzo[a]pyrene-11,12-diol

Chemical Property:

• Vapor Pressure: 1.07E-13mmHg at 25°C
• Boiling Point: 572.3°C at 760 mmHg
• Flash Point: 279.3°C
• PSA: 40.46000
• Density: 1.473g/cm³
• LogP: 5.14840
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 284.083729621
• Heavy Atom Count: 22
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C(=C(C5=CC=C4)O)O

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