Physodic Acid
[CAS# 84-24-2]

Identification

• Name: Physodic Acid
• Synonyms: 3,9-Dihydroxy-6-Oxo-7-(2-Oxoheptyl)-1-Pentyl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 3,9-Dihydroxy-6-Oxo-7-(2-Oxoheptyl)-1-Pentyl-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 1-Amyl-3,9-Dihydroxy-6-Keto-7-(2-Ketoheptyl)Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₂₆H₃₀O₈
• Molecular Weight: 470.52
• CAS Registry Number: 84-24-2
• SMILES: C1=C(C(=C(C2=C1OC(=O)C3=C(O2)C=C(O)C=C3CC(CCCCC)=O)CCCCC)C(O)=O)O
• InChI: 1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
• InChIKey: KVTYWHGIZSCFLG-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 701.977°C at 760 mmHg (Cal.)
• Flash point: 235.695°C (Cal.)