4-Hydroxycinnamic acid CAS501-98-4

Details:

Density 1.3± 0.1g /cm3
The boiling point is 346.1±17.0 °C at 760 mmHg
Melting point 214ºC
Molecular formula C9H8O3
Molecular weight 164.158
Flash point 177.3±17.4 °C
Accurate mass 164.047348
PSA 57.53000
LogP is 1.88
Appearance character white crystal
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index of 1.660
Storage condition
Store sealed in a ventilated, dry environment

stability
1. Use and storage according to specifications, will not decompose, avoid contact with oxides.

2. It exists in flue-cured tobacco leaf, burley tobacco leaf, flavored tobacco leaf and flue gas.

Water soluble soluble
Molecular structure
1. Molar refractive index: 45.58

2, molar volume (cm3/mol) : 123.4

3. Isotropic volume (90.2K) : 347.0

4. Surface tension (dyne/cm) : 62.4

5. Polarization (10-24cm3) : 18.07

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 1.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond receptors: 3

4. Number of rotatable bonds: 2

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA) : 57.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 178

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: 1

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

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