3,3'-Methylenebis(4-Hydroxy-2H-Chromen-2-One)
[CAS# 66-76-2]

Identification

• Classification: API >> Blood system medication >> Anticoagulant and antiplatelet drugs
• Name: 3,3'-Methylenebis(4-Hydroxy-2H-Chromen-2-One)
• Synonyms: 3,3′-Methylenebis(4-hydroxycoumarin); 3,3′-Methylene-bis(4-hydroxycoumarin); 3,3'-Methyleen-bis(4-hydroxy-cumarine)
• Molecular Formula: C₁₉H₁₂O₆
• Molecular Weight: 336.30
• CAS Registry Number: 66-76-2
• EINECS: 200-632-9
• SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
• InChI: 1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
• InChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 620.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 231.9±25.0°C (Cal.)

References

• (1): Colucci Marie A.. Natural and synthetic quinones and their reduction by the quinone reductase enzyme NQO1: from synthetic organic chemistry to compounds with anticancer potential, Organic & Biomolecular Chemistry, 2008