(S)-(-)-5,5-DIPHENYL-4-(TERT-BUTYL)-2-OXAZOLIDINONE CAS191090-36-5

Details:

Density 1.113 g/cm3
Boiling point 478.2ºCat 760 mmHg
Melting point 302-305ºC(lit.)
Molecular formula C19H21NO2
Molecular weight 295.37600
Flash point 243ºC
Accurate mass 295.15700
PSA 38.333000
LogP 4.41350
Vapor pressure 2.64E-09mmHg at 25°C
Refractive index of 1.56
Storage condition
Store sealed in a cool, dry warehouse.

stability
Stable at normal temperature and pressure, avoid contact with strong oxidant.

Molecular structure
1. Reference value of hydrophobic parameter calculation (XlogP) : 4.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 3

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA) : 38.3

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 382

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 1

12. Number of uncertain atomic constitutive centers: 0

13. Determine the number of chemical bond structure centers: 0

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :4.5

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :3

5. Number of tautomers :2

6. Topological molecular polar surface area 38.3

7. Number of heavy atoms :22

8. Surface charge :0

9. Complexity :382

10. Number of isotope atoms :0

11. Determine the number of atomic constitutive centers :1

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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