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189954-96-9

Basic Information
CAS No.: 189954-96-9
Name: Firocoxib
Article Data: 14
Molecular Structure:
Molecular Structure of 189954-96-9 (Firocoxib)
Formula: C17H20 O5 S
Molecular Weight: 336.409
Synonyms: Equioxx;Equixx;Librens;ML 1785713;Previcox;2(5H)-Furanone,3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-;
EINECS: 200-001-2
Density: 1.31
Melting Point: 78-80°C
Boiling Point: 563.9°Cat760mmHg
Flash Point: 294.8°C
PSA: 78.05000
LogP: 3.64400
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Specification

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