Flavellagic Acid
[CAS# 741-67-3]

Identification

• Name: Flavellagic Acid
• Synonyms: Nci60_002950; Nsc335996; Aids011389
• Molecular Formula: C₁₄H₆O₉
• Molecular Weight: 318.20
• CAS Registry Number: 741-67-3
• SMILES: C4=C3C1=C(OC(=O)C2=C1C(=C(O)C(=C2O)O)OC3=O)C(=C4O)O
• InChI: 1S/C14H6O9/c15-3-1-2-4-5-6(14(21)23-11(4)7(3)16)8(17)9(18)10(19)12(5)22-13(2)20/h1,15-19H
• InChIKey: ZFLBHPZBJRWSJR-UHFFFAOYSA-N

Properties

• Density: 2.2g/cm³ (Cal.)
• Boiling point: 861.217°C at 760 mmHg (Cal.)
• Flash point: 331.151°C (Cal.)