(5aR,9aR)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
[CAS# 515836-47-2]

Identification

• Name: (5aR,9aR)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
• Synonyms: (5aR,9aR)-5a,6,7,8,9,9a-hexahydrodibenzo[b,e][1,4]dioxine-2,3-diol
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 515836-47-2
• SMILES: C1CC[C@@H]2[C@@H](C1)OC3=C(O2)C=C(C(=C3)O)O
• InChI: 1S/C12H14O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h5-6,9-10,13-14H,1-4H2/t9-,10-/m1/s1
• InChIKey: ISCFBKFVMVXAPJ-NXEZZACHSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 414.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 204.7±28.7°C (Cal.)
• Refractive index: 1.601 (Cal.)