4-Methylangelicin
[CAS# 6457-92-7]

Identification

• Name: 4-Methylangelicin
• Synonyms: 4-Methylpyrano[6,5-E]Benzofuran-2-One; 4-Methyl-2-Pyrano[6,5-E]Benzofuranone; Oprea1_085056
• Molecular Formula: C₁₂H₈O₃
• Molecular Weight: 200.19
• CAS Registry Number: 6457-92-7
• SMILES: C2=CC1=C(C=CO1)C3=C2C(=CC(=O)O3)C
• InChI: 1S/C12H8O3/c1-7-6-11(13)15-12-8(7)2-3-10-9(12)4-5-14-10/h2-6H,1H3
• InChIKey: HCYYGOURSFQHRV-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 364.253°C at 760 mmHg (Cal.)
• Flash point: 174.094°C (Cal.)