|
FW:
|
268.266
|
|
MF:
|
C12H16N2O5
|
|
Refractive_Index:
|
1.542
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
369.3±42.0 °C at 760 mmHg
|
|
Exact_Mass:
|
268.105927
|
|
PSA:
|
100.87000
|
|
Computational_Chemistry:
|
['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :355 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6923 ', '2 . Molar volume 2200 ', '3 . Parachor （902K）5605 ', '4 . Surface tension 420 ', '5 . Polarizability 2744']
|
|
LogP:
|
3.71
|
|
Melting_Point:
|
84-86°C
|
|
Flash_Point:
|
149.6±29.9 °C
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 浅Yellow 片状结晶。 2 . Density（g/mL,25/4℃）Unknow 3 . Relative vapor density（g/mL,Atmosphere =1） Unknow 4 . Melting point（ºC）84-86℃ ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow 6 . Boiling point（ºC,52kPa）185℃（213kPa） 7 . Refractive indexUnknow 8 . Flash point（ºC）65℃ 9 . Specific rotation（º） Unknow 10 . Spontaneous ignition point or ignition temperature（ºC）不确定 11 . Vapor pressure（kPa,25ºC） Unknow 12 . Saturated vapor pressure（kPa,60ºC） Unknow 13 . Combustion heat（KJ/mol） Unknow 14 . Critical temperature（ºC）不确定 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 Soluble in Ethyl ether 甲醇微Soluble in Ethanol ，Insoluble in Water ']
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