Coumetarol
[CAS# 4366-18-1]

Identification

• Name: Coumetarol
• Synonyms: 2-Hydroxy-3-[1-(2-Hydroxy-4-Oxo-Chromen-3-Yl)-2-Methoxy-Ethyl]Chromen-4-One; 2-Hydroxy-3-[1-(2-Hydroxy-4-Oxo-3-Chromenyl)-2-Methoxyethyl]-4-Chromenone; 2-Hydroxy-3-[1-(2-Hydroxy-4-Keto-Chromen-3-Yl)-2-Methoxy-Ethyl]Chromone
• Molecular Formula: C₂₁H₁₆O₇
• Molecular Weight: 380.35
• CAS Registry Number: 4366-18-1
• EINECS: 224-455-1
• SMILES: C2=C1C(=O)C(=C(OC1=CC=C2)O)C(C4=C(OC3=CC=CC=C3C4=O)O)COC
• InChI: 1S/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,24-25H,10H2,1H3
• InChIKey: LWWRYRVUPIPGPP-UHFFFAOYSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 550.28°C at 760 mmHg (Cal.)
• Flash point: 196.049°C (Cal.)