1. Introduction of Firocoxib
Firocoxib, with the IUPAC Name of 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one, belongs to the Classification Code which include Anti-inflammatory Agents; Cycloxygenase-2 (COX-2) Inhibitors; Treatment of pain, inflammation and fever. Firocoxib is used as non-steroidal anti-inflammatory drug.
2. Properties of Firocoxib
Firocoxib has the following datas: (1)Density: 1.31; (2)Boiling Point: 563.9°C at 760mmHg; (3)Flash Point: 294.8°C; (4)Freely Rotating Bonds: 5; (5)Polar Surface Area: 78.05; (6)Index of Refraction: 1.584; (7)Molar Refractivity: 85.45 cm3; (8)Molar Volume: 255.1 cm3; (9)Polarizability: 33.87 ×10-24 cm3; (10)Surface Tension: 51.4 dyne/cm; (11)Enthalpy of Vaporization: 84.73 kJ/mol; (12)Vapour Pressure: 9.72E-13 mmHg at 25°C.
3. Structure Descriptors of Firocoxib
You could convert the following datas into the molecular structure:
(1). Canonical SMILES: CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
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