Phenacetin is a non-opioid analgesic compound that can inhibit the activity of COX-3 and has anti-inflammatory activity.
Density 1.0± 0.1g /cm3
Boiling point 323.6±44.0 °C at 760 mmHg
Melting point 133-136 °C(lit.)
Molecular formula C10H13NO2
Molecular weight 179.216
Flash point 149.5±28.4 °C
Precise mass 179.094635
PSA 38.333000
LogP 2.01
Appearance properties White crystalline powder
Vapor pressure 0.0±0.7 mmHg at 25°C
Refractive index 1.506
Storage condition
Store at 2-10℃.
Stable. Incompatible with strong oxidizing agents, strong acids.
Water solubility 0.076 g/100 mL
Molecular structure
V. Molecular property data:
1, molar refractive index: 51.83
2, molar volume (m3/mol) : 163.0
3. Isotropic specific volume (90.2K) : 407.4
4, surface tension (dyne/cm) : 39.0
5, polarizability (10-24cm 3) : 20.54
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :1
3. Number of hydrogen bond receptors :2
4. Number of rotatable bonds :3
5. Number of tautomers :3
6. Topological molecular polar surface area 38.3
7. Number of heavy atoms :13
8. Surface charge :0
9. Complexity :162
10. Number of isotope atoms :0
11. Determine the number of protonic centers :0
12. Number of uncertain atomic stereocentes :0
13. Determine the number of chemical bond structure centers :0
14. Number of uncertain chemical bond stereocenter :0
15. Number of covalent bond units :1
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