Isooxypeucedanin
[CAS# 5058-15-1]

Identification

• Name: Isooxypeucedanin
• Synonyms: 4-(3-Methyl-2-Oxo-Butoxy)Furo[3,2-G]Chromen-7-One; 4-(3-Methyl-2-Oxobutoxy)-7-Furo[3,2-G]Chromenone; 4-(2-Keto-3-Methyl-Butoxy)Furo[3,2-G]Chromen-7-One
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28
• CAS Registry Number: 5058-15-1
• SMILES: C2=C1OC(=O)C=CC1=C(OCC(=O)C(C)C)C3=C2OC=C3
• InChI: 1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,9H,8H2,1-2H3
• InChIKey: USLPJJIUMAKBIU-UHFFFAOYSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 477.992°C at 760 mmHg (Cal.)
• Flash point: 242.881°C (Cal.)