11,12-Dihydro-11,12-Epoxy-3-Methylcholanthrene
[CAS# 3416-21-5]

Identification

• Name: 11,12-Dihydro-11,12-Epoxy-3-Methylcholanthrene
• Synonyms: 11,12-Epoxy-11,12-Dihydro-3-Methylcholanthrene; 11,12-Epoxy-3-Methylcholanthrene; 3-Methylcholanthrene 11,12-Epoxide
• Molecular Formula: C₂₁H₁₆O
• Molecular Weight: 284.36
• CAS Registry Number: 3416-21-5
• SMILES: C1=C6C5=C(C3=C1C2=C(C=CC=C2)C4OC34)CCC5=C(C=C6)C
• InChI: 1S/C21H16O/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20-21(22-20)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-21H,8-9H2,1H3
• InChIKey: LFYCWMXAEDCADG-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 507.127°C at 760 mmHg (Cal.)
• Flash point: 243.118°C (Cal.)