Coronafacic Acid
[CAS# 62251-98-3]

Identification

• Name: Coronafacic Acid
• Synonyms: (3As,6R,7As)-6-Ethyl-1-Keto-2,3,3A,6,7,7A-Hexahydroindene-4-Carboxylic Acid; 1H-Indene-4-Carboxylic Acid, 6-Ethyl-2,3,3A,6,7,7A-Hexahydro-1-Oxo-, (3As,6R,7As)-; 1H-Indene-4-Carboxylic Acid, 6-Ethyl-2,3,3A,6,7,7A-Hexahydro-1-Oxo-, (3As-(3Alpha,6Beta,7Aalpha))-
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.26
• CAS Registry Number: 62251-98-3
• SMILES: [C@@H]12C(=C[C@@H](C[C@@H]1C(=O)CC2)CC)C(=O)O
• InChI: 1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1
• InChIKey: ONMAUQRMJXNSCG-VGMNWLOBSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 375.368°C at 760 mmHg (Cal.)
• Flash point: 194.994°C (Cal.)