Allopsoralen
[CAS# 4412-93-5]

Identification

• Name: Allopsoralen
• Synonyms: Pyrano[6,5-G]Benzofuran-7-One; 7-Pyrano[6,5-G]Benzofuranone; 7H-Furo(2,3-F)(1)Benzopyran-7-One
• Molecular Formula: C₁₁H₆O₃
• Molecular Weight: 186.17
• CAS Registry Number: 4412-93-5
• SMILES: C3=CC2=C(C1=C(OC(C=C1)=O)C=C2)O3
• InChI: 1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H
• InChIKey: HMUJHZNYHJMOHR-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 362.621°C at 760 mmHg (Cal.)
• Flash point: 173.107°C (Cal.)