|
MF:
|
C13H14N2O3
|
|
Bolling_Point:
|
586.6±45.0 °C at 760 mmHg
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|
Exact_Mass:
|
246.100449
|
|
More_Info:
|
['1 . Appearance White 结晶or 粉末。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）186 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,02mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Melting_Point:
|
190ºC
|
|
PSA:
|
82.19000
|
|
Flash_Point:
|
308.6±28.7 °C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 822 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :332 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6712 ', '2 . Molar volume 1851 ', '3 . Parachor （902K）5188 ', '4 . Surface tension :616 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2661']
|
|
Vapor_Pressure:
|
0.0±1.7 mmHg at 25°C
|
|
FW:
|
246.262
|
|
LogP:
|
0.70
|
|
Refractive_Index:
|
1.645
|
