2',6'-Dihydroxyacetophenone cas699-83-2

Details:

Density 1.3± 0.1g /cm3
Boiling point 262.8±20.0 °C at 760 mmHg
Melting point 156-158 °C(lit.)
Molecular formula C8H8O3
Molecular weight 152.147
Flash point 127.0±18.3 °C
Accurate mass 152.047348
PSA 57.53000
LogP 2.28
Appearance properties light yellow - beige powder
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index 1.595
Storage condition
Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability
Stay away from the oxides.

Water solubility is sparingly soluble
Molecular structure
1. Molar refractive index: 40.04

2, molar volume (cm3/mol) : 117.8

3. Isotropic specific volume (90.2K) : 322.4

4. Surface tension (dyne/cm) : 56.1

5. Dielectric constant:

6. Dipole distance (10-24cm3) :

7. Polarization: 15.87

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.4

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :1

5. Number of tautomers :12

6. Topological molecular polar surface area 57.5

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :145

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

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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