3-(3,4-Dihydroxyphenyl)-8-Hydroxyisochromen-1-One
[CAS# 147666-80-6]

Identification

• Name: 3-(3,4-Dihydroxyphenyl)-8-Hydroxyisochromen-1-One
• Synonyms: 3-(3,4-Dihydroxyphenyl)-8-Hydroxy-Isochromen-1-One; 3-(3,4-Dihydroxyphenyl)-8-Hydroxy-1-Isochromenone; 3-(3,4-Dihydroxyphenyl)-8-Hydroxyisocoumarin (Thunberginol A)
• Molecular Formula: C₁₅H₁₀O₅
• Molecular Weight: 270.24
• CAS Registry Number: 147666-80-6
• SMILES: C1=CC=C(O)C2=C1C=C(OC2=O)C3=CC(=C(O)C=C3)O
• InChI: 1S/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H
• InChIKey: WHZXJVJVGGWZQI-UHFFFAOYSA-N

Properties

• Density: 1.548g/cm³ (Cal.)
• Boiling point: 564.712°C at 760 mmHg (Cal.)
• Flash point: 220.769°C (Cal.)