3,4-Dimethoxyhydrocinnamic acid CAS2107-70-2

Details:

Density 1.2± 0.1g /cm3
Boiling point 344.2±27.0 °C at 760 mmHg
Melting point 96-97 °C(lit.)
Molecular formula C11H14O4
Molecular weight 210.227
Flash point 132.0±17.2 °C
Accurate mass 210.089203
PSA 55.76000
LogP is 1.58
Appearance character slightly beige powder
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.522
Storage condition
Store away from oxidants, keep containers sealed, place in tight containers, and store in a cool, dry place

stability
Avoid contact with oxides, dangerous decomposition products into carbon monoxide and carbon dioxide

Molecular structure
1. Molar refractive index: 55.35

2, molar volume (m3/mol) : 181.3

3. Isotropic volume (90.2K) : 458.7

4. Surface tension (dyne/cm) : 40.9

5, polarization (10-24cm 3) : 21.94

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :4

4. Number of rotatable bonds :5

5. Number of tautomers: None

6. Topological molecular polar surface area 55.8

7. Number of heavy atoms :15

8. Surface charge :0

9. Complexity :205

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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