3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxyisochromen-1-One
[CAS# 147666-81-7]

Identification

• Name: 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxyisochromen-1-One
• Synonyms: 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxy-Isochromen-1-One; 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxy-1-Isochromenone; Thunberginol B
• Molecular Formula: C₁₅H₁₀O₆
• Molecular Weight: 286.24
• CAS Registry Number: 147666-81-7
• SMILES: C1=C(C2=C(C=C1O)C=C(OC2=O)C3=CC(=C(C=C3)O)O)O
• InChI: 1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
• InChIKey: NHFGEHLUROYMEB-UHFFFAOYSA-N

Properties

• Density: 1.655g/cm³ (Cal.)
• Boiling point: 664.05°C at 760 mmHg (Cal.)
• Flash point: 257.946°C (Cal.)