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MF:
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C6H7N3O2
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Water_Solubility:
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1.2 g/L (20 ºC)
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Bolling_Point:
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421.1±25.0 °C at 760 mmHg
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Exact_Mass:
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153.053833
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More_Info:
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['1 . Appearance 暗红色针状结晶。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）199-201 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,202ºC）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 Soluble in Ethanol 丙酮及盐酸溶液，难Soluble in Water 。']
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Melting_Point:
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199-201 °C(lit.)
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PSA:
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97.86000
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Flash_Point:
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208.5±23.2 °C
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Refractive_Index:
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1.708
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Density:
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1.4±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 4127 ', '2 . Molar volume 1058 ', '3 . Parachor （902K）3144 ', '4 . Surface tension 779 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1636']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 979 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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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FW:
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153.139
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LogP:
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1.21
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Vapor_Pressure:
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0.0±1.0 mmHg at 25°C
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