6-(1,2-Dihydroxy-3-Methyl-3-Butenyl)-7-Methoxy-2H-1-Benzopyran-2-One
[CAS# 60094-90-8]

Identification

• Name: 6-(1,2-Dihydroxy-3-Methyl-3-Butenyl)-7-Methoxy-2H-1-Benzopyran-2-One
• Synonyms: 6-(1,2-Dihydroxy-3-Methyl-But-3-Enyl)-7-Methoxy-Chromen-2-One; 6-(1,2-Dihydroxy-3-Methylbut-3-Enyl)-7-Methoxy-2-Chromenone; 6-(1,2-Dihydroxy-3-Methyl-But-3-Enyl)-7-Methoxy-Coumarin
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.29
• CAS Registry Number: 60094-90-8
• SMILES: C1=C(C(=CC2=C1C=CC(O2)=O)OC)C(O)C(O)C(=C)C
• InChI: 1S/C15H16O5/c1-8(2)14(17)15(18)10-6-9-4-5-13(16)20-11(9)7-12(10)19-3/h4-7,14-15,17-18H,1H2,2-3H3
• InChIKey: PMZIJDMODGMWOR-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 500.833°C at 760 mmHg (Cal.)
• Flash point: 189.515°C (Cal.)