3,5-Pyridinedicarboxylic acid CAS499-81-0

Details:

Density 1.6± 0.1g /cm3
Boiling point 463.7±30.0 °C at 760 mmHg
Melting point >300 °C(lit.)
Molecular formula C7H5NO4
Molecular weight 167.119
Flash point 234.3±24.6 °C
Precise mass 167.021851
PSA 87.49000
LogP minus 0.34
Appearance properties White crystal powder
Vapor pressure 0.0±1.2 mmHg at 25°C
Refractive index 1.628
Storage condition
Keep sealed and place in a ventilated, dry environment

stability
Used and stored according to specifications, it will not decompose and avoid contact with oxides

Water is insoluble
Molecular structure
1, molar refractive index: 38.20

2, molar volume (m3/mol) : 107.7

3. Isotropic specific volume (90.2K) : 325.6

4, surface tension (dyne/cm) : 83.5

5, polarizability (10-24 cm 3) : 15.14

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : -0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond receptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA) : 87.5

7. Number of heavy atoms: 12

8, surface charge: 0

9. Complexity: 184

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenter: 0

12. Number of uncertain atomic stereocentes: 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

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