7,8-Dihydroxy-7,8-Dihydro-Benzo(a)Pyrene
[CAS# 60864-95-1]

Identification

• Name: 7,8-Dihydroxy-7,8-Dihydro-Benzo(a)Pyrene
• Synonyms: (-)-7R,8R-Dihydroxy-7,8-Dihydrobenzo(A)Pyrene; (-)-7Beta,8Alpha-Dihydroxy-7,8-Dihydrobenzo(A)Pyrene; (-)-Benzo(A)Pyrene-7R,8R-Dihydrodiol
• Molecular Formula: C₂₀H₁₄O₂
• Molecular Weight: 286.33
• CAS Registry Number: 60864-95-1
• SMILES: [C@@H]5(O)C2=C(C1=CC=C4C3=C1C(=C2)C=CC3=CC=C4)C=C[C@H]5O
• InChI: 1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m1/s1
• InChIKey: YDXRLMMGARHIIC-YLJYHZDGSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 553.277°C at 760 mmHg (Cal.)
• Flash point: 268.564°C (Cal.)