Benzo[a]Pyrene-7,8-Diol-9,10-Epoxide
[CAS# 63528-87-0]

Identification

• Name: Benzo[a]Pyrene-7,8-Diol-9,10-Epoxide
• Synonyms: Benzo(10,11)Chryseno(3,4-B)Oxirene-7,8-Diol, 8A,9A-Dihydro-; Benzo(A)Pyrene-7,8-Diol-9,10-Epoxide
• Molecular Formula: C₂₀H₁₂O₃
• Molecular Weight: 300.31
• CAS Registry Number: 63528-87-0
• SMILES: C2=C6C1=C5C(=CC=C1C3=C2C(=C(O)C4OC34)O)C=CC=C5C=C6
• InChI: 1S/C20H12O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,19-22H
• InChIKey: OKMMPIIEAWVGFU-UHFFFAOYSA-N

Properties

• Density: 1.651g/cm³ (Cal.)
• Boiling point: 608.873°C at 760 mmHg (Cal.)
• Flash point: 322.035°C (Cal.)