Inositol CAS87-89-8

Details:

Density 2.0± 0.1g /cm3
Boiling point 291.3±40.0 °C at 760 mmHg
Melting point 220-228ºC
Molecular formula C6H12O6
Molecular weight 180.156
Flash point 143.4±21.9 °C
Accurate mass 180.063385
PSA 121.38000
LogP minus 2.11
Appearance properties white powder
Vapor density 6.2 (vs air)
Vapor pressure 0.0±1.4 mmHg at 25°C
Refractive index 1.784
Storage condition
Store in a cool, ventilated and dry place.

stability
Stable in air. The aqueous solution is neutral to litmus.

Water solubility H2O: 0.5 M at 20 ° C, the clear and colorless | 14 g / 100 mL (25 DHS C)
Molecular structure
1. Molar refractive index: 37.21

2, molar volume (cm3/mol) : 88.3

3. Isocapacitive (90.2K) : 280.5

4. Surface tension (dyne/cm) : 101.6

5. Polarization (10-24cm3) : 14.75

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : -3.7

2. Number of hydrogen bond donors: 6

3. Number of hydrogen bond receptors: 6

4. Number of rotatable bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA) : 121

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 104

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

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

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