3',6'-Dihydroxy-4',5'-Dimethyl-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Carboxylic Acid
[CAS# 100111-02-2]

Identification

• Name: 3',6'-Dihydroxy-4',5'-Dimethyl-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Carboxylic Acid
• Synonyms: 3',6'-Dihydroxy-4',5'-Dimethyl-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Carboxylic Acid; 3',6'-Dihydroxy-4',5'-Dimethyl-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Carboxylic Acid; 3',6'-Dihydroxy-3-Keto-4',5'-Dimethyl-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Carboxylic Acid
• Molecular Formula: C₂₃H₁₆O₇
• Molecular Weight: 404.38
• CAS Registry Number: 100111-02-2
• SMILES: C1=CC(=CC2=C1C4(OC2=O)C3=CC=C(O)C(=C3OC5=C4C=CC(=C5C)O)C)C(=O)O
• InChI: 1S/C23H16O7/c1-10-17(24)7-5-15-19(10)29-20-11(2)18(25)8-6-16(20)23(15)14-4-3-12(21(26)27)9-13(14)22(28)30-23/h3-9,24-25H,1-2H3,(H,26,27)
• InChIKey: YBPPXXBBVCHENS-UHFFFAOYSA-N

Properties

• Density: 1.626g/cm³ (Cal.)
• Boiling point: 703.453°C at 760 mmHg (Cal.)
• Flash point: 252.495°C (Cal.)