N-PHENYLCARBAMIC ACID METHYL ESTER CAS2603-10-3

Details:

Density 1.172g/cm3
Boiling point 126ºC / 10mmHg
Melting point 47ºC
Molecular formula C8H9NO2
Molecular weight 151.16300
Flash point 66.5ºC
Accurate mass 151.06300
PSA 38.333000
LogP 1.93790
Appearance character solid; White to Light yellow to Light red powder to crystal
Vapor pressure 0.664mmHg at 25°C
Refractive index 1.569
Storage condition
Seal in a cool dry environment.

stability
It will not decompose if used and stored according to specifications.

Molecular structure
1. Molar refractive index: 42.26

2, molar volume (m3/mol) : 128.8

3. Isotropic volume (90.2K) : 330.6

4. Surface tension (dyne/cm) : 43.3

5. Polarization (10-24cm3) : 16.75

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 1.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 2

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

6. Number of heavy atoms: 11

7. Surface charge: 0

8. Complexity: 130

9. Number of isotope atoms: 0

10. Determine the number of atomic constitutive centers: 0

11. Number of uncertain atomic constitutive centers: 0

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

13. Number of uncertain bond structure centers: 0

14. Number of covalent bond units: 1

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