2, 5-dimethoxy-β-nitrostyrene

Chinese name 2, 5-dimethoxy-β-nitrostyrene

The English name is 2, 5-dimethoxy-β-nitrostyrene

Chinese alias -2, 5-dimethoxy-β-nitrostyrene

More English nicknames

Physicochemical properties of 2, 5-dimethoxy-β-nitrostyrene

Density 1.2± 0.1g /cm3

Boiling point 350.8±27.0 °C at 760 mmHg

Melting point 116-120oC(lit.)

Molecular formula C10H11NO4

Molecular weight 209.199

Flash point 163.2±25.7 °C

Accurate mass 209.068802

PSA 64.28000

LogP 2.17

Appearance properties orange crystalline powder

Vapor pressure 0.0±0.7 mmHg at 25°C

Refractive index 1.565

Molecular structure

1. Molar refractive index: 56.88

2. Molar volume (cm3/mol) : 174.6

3. Isotropic volume (90.2K) : 442.3

4. Surface tension (dyne/cm) : 41.1

5. Polarization: 22.55

6. Dielectric constant: not determined

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :2.1

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :4

4. Number of rotatable bonds :3

5. Number of tautomers :2

6. Topological molecular polar surface area 64.3

7. Number of heavy atoms :15

8. Surface charge :0

9. Complexity :236

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 :1

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1