3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxyisochroman-1-One
[CAS# 147517-07-5]

Identification

• Name: 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxyisochroman-1-One
• Synonyms: 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxy-Isochroman-1-One; 3-(3,4-Dihydroxyphenyl)-6,8-Dihydroxy-1-Isochromanone; Thunberginol D
• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.26
• CAS Registry Number: 147517-07-5
• SMILES: C1=C(O)C=C2C(=C1O)C(OC(C2)C3=CC(=C(C=C3)O)O)=O
• InChI: 1S/C15H12O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-4,6,13,16-19H,5H2
• InChIKey: NNFSGOSBNORREV-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 644.103°C at 760 mmHg (Cal.)
• Flash point: 249.203°C (Cal.)