Aklanonic Acid
[CAS# 91432-47-2]

Identification

• Name: Aklanonic Acid
• Synonyms: 2-[4,5-Dihydroxy-3-[(Z)-1-Hydroxy-3-Oxo-Pent-1-Enyl]-9,10-Dioxo-2-Anthryl]Acetic Acid; 2-[4,5-Dihydroxy-3-[(Z)-1-Hydroxy-3-Oxopent-1-Enyl]-9,10-Dioxo-2-Anthryl]Acetic Acid; 2-[4,5-Dihydroxy-3-[(Z)-1-Hydroxy-3-Keto-Pent-1-Enyl]-9,10-Diketo-2-Anthryl]Acetic A
• Molecular Formula: C₂₁H₁₆O₈
• Molecular Weight: 396.35
• CAS Registry Number: 91432-47-2
• SMILES: C1=C(C(=C(O)C3=C1C(=O)C2=CC=CC(=C2C3=O)O)\C(O)=C\C(=O)CC)CC(=O)O
• InChI: 1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,8,23-24,28H,2,7H2,1H3,(H,25,26)/b14-8-
• InChIKey: WTCFRKORYWVLAQ-ZSOIEALJSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 741.485°C at 760 mmHg (Cal.)
• Flash point: 416.169°C (Cal.)