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62-44-2 Phenacetin

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Product Detail

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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