syn-(-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide
[CAS# 63357-09-5]

Identification

• Name: syn-(-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide
• Synonyms: (-)-Cis-7-Beta,8-Alpha-Dihydroxy-9-Beta,10-Beta-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene; (-)-Syn-Benzo(A)Pyrene-7,8-Dihydrodiol-9,10-Epoxide; Benzo(A)Pyrene, 7-Beta,8-Alpha-Dihydroxy-9-Beta,10-Beta-Epoxy-7,8,9,10-Tetrahydr
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 63357-09-5
• SMILES: [C@@H]12O[C@@H]1[C@@H](O)[C@H](O)C3=C2C6=C4C(=C3)C=CC5=CC=CC(=C45)C=C6
• 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-/m1/s1
• InChIKey: DQEPMTIXHXSFOR-FUMNGEBKSA-N

Properties

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