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PSA:
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55.98000
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Bolling_Point:
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257.7±32.0 °C at 760 mmHg
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Molecular_Structure:
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['1 . Molar refractive index 3327 ', '2 . Molar volume 1013 ', '3 . Parachor （902K）2758 ', '4 . Surface tension 548 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1319']
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LogP:
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-0.24
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More_Info:
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['1 . Appearance White 针状结晶or 结晶性粉末，无臭or 稍有臭气，味微苦。 ', '2 . Density（g/mL,25℃）140 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）128-131 ', '5 . Boiling point（ºC,Atmospheric pressure）128-131 ', '6 . Boiling point（ºC,30mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）182 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: 480 ', '11 . Vapor pressure（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 本品1gSoluble in 1mlWater 15ml醇及10ml甘油，Insoluble in 醚。']
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MF:
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C6H6N2O
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 56 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :114 ', '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']
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Refractive_Index:
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1.590
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Flash_Point:
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109.7±25.1 °C
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FW:
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122.125
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Exact_Mass:
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122.048012
|
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Vapor_Pressure:
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0.0±0.6 mmHg at 25°C
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Density:
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1.2±0.1 g/cm3
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