9,10-Dihydroxy-9,10-Dihydro-3-Methylcholanthrene-2-One
[CAS# 127861-40-9]

Identification

• Name: 9,10-Dihydroxy-9,10-Dihydro-3-Methylcholanthrene-2-One
• Synonyms: 9,10-Dihydroxy-9,10-Dihydro-3-Methylcholanthrene-2-One; Benz(J)Aceanthrylen-2(1H)-One, 9,10-Dihydro-9,10-Dihydroxy-3-Methyl-, (9R-Trans)-
• Molecular Formula: C₂₁H₁₆O₃
• Molecular Weight: 316.36
• CAS Registry Number: 127861-40-9
• SMILES: C1=C(C5=C4C(=C1)C=C3C2=C(C(C(C=C2)O)O)C=CC3=C4CC5=O)C
• InChI: 1S/C21H16O3/c1-10-2-3-11-8-15-12-6-7-17(22)21(24)14(12)5-4-13(15)16-9-18(23)19(10)20(11)16/h2-8,17,21-22,24H,9H2,1H3
• InChIKey: UALOIRUKSTWXFU-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 630.321°C at 760 mmHg (Cal.)
• Flash point: 349.014°C (Cal.)