7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
[CAS# 60268-86-2]

Identification

• Name: 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
• Synonyms: Syn-Bpde; Syn-Benzo(A)Pyrene-7,8-Dihydrodiol-9,10-Oxide; Trans-7,8-Dihydroxy-9,10-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene, Syn
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 60268-86-2
• SMILES: [C@@H]6(C4=C(C1=C3C2=C(C=C1)C=CC=C2C=CC3=C4)C5C(O5)[C@H]6O)O
• InChI: 1S/C20H14O3/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/h1-8,17-22H/t17-,18-,19?,20?/m0/s1
• InChIKey: DQEPMTIXHXSFOR-VCAKUFKGSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 594.249°C at 760 mmHg (Cal.)
• Flash point: 313.191°C (Cal.)