Benzo(a)Pyrene-11,12-Diol
[CAS# 65277-41-0]

Identification

• Name: Benzo(a)Pyrene-11,12-Diol
• Synonyms: C0953; 11,12-Dihydroxybenzo(A)Pyrene; Benzo(A)Pyrene-11,12-Diol
• Molecular Formula: C₂₀H₁₂O₂
• Molecular Weight: 284.31
• CAS Registry Number: 65277-41-0
• SMILES: C1=C5C(=C4C2=C1C=CC3=CC=CC(=C23)C(=C4O)O)C=CC=C5
• InChI: 1S/C20H12O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,21-22H
• InChIKey: PDJGMYRLJBMBHN-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 572.259°C at 760 mmHg (Cal.)
• Flash point: 279.255°C (Cal.)