3-Hydroxy-4-methoxybenzoic acid CAS645-08-9

Details:

Density 1.4± 0.1g /cm3
Boiling point 344.3±27.0 °C at 760 mmHg
Melting point 250-253 °C(lit.)
Molecular formula C8H8O4
Molecular weight 168.147
Flash point 145.2±17.2 °C
Accurate mass 168.042252
PSA 66.76000
LogP is 1.35
Appearance properties white to light yellow crystalline powder
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.586
Storage condition
Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability
1. Stay away from oxides.

2. It exists in smoke.

Molecular structure
1. Molar refractive index: 41.74

2, molar volume (cm3/mol) : 124.3

3. Isotropic volume (90.2K) : 341.0

4. Surface tension (dyne/cm) : 56.5

5. Polarization (10-24cm3) : 16.54

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 1.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 4

4. Number of rotatable bonds: 1

5. Topological molecular polar surface area (TPSA) : 69.6

6. Number of heavy atoms: 12

7. Surface charge: -1

8. Complexity: 163

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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