3-Hydroxy-7,8-Dihydro-7,8-Dihydroxybenzo[a]Pyrene
[CAS# 99346-47-1]

Identification

• Name: 3-Hydroxy-7,8-Dihydro-7,8-Dihydroxybenzo[a]Pyrene
• Synonyms: 3-Hydroxy-7,8-Dihydro-7,8-Dihydroxybenzo(A)Pyrene; Ccris 4542; Trans-3,7,8-Trihydroxy-7,8-Dihydrobenzo(A)Pyrene
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 99346-47-1
• SMILES: [C@H]2(C1=CC3=CC=C4C(=CC=C5C=CC(=C1C=C[C@H]2O)C3=C45)O)O
• InChI: 1S/C20H14O3/c21-16-7-3-10-1-4-13-12-6-8-17(22)20(23)15(12)9-11-2-5-14(16)18(10)19(11)13/h1-9,17,20-23H/t17-,20-/m1/s1
• InChIKey: OOAWJGIFGOEOFI-YLJYHZDGSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 613.942°C at 760 mmHg (Cal.)
• Flash point: 297.698°C (Cal.)