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
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