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MF:
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C9H10N2O
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Density:
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1.159g/cm3
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Computational_Chemistry:
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['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 323 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :193 ', '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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More_Info:
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['1 . Appearance 不确定 2 . Density（ g/mL,25/4 ℃ ）不确定 3 . Relative vapor density（ g/mL, Atmosphere =1 ）不确定 ', '4 . Melting point（ºC）200-203 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 6 . Boiling point（ ºC,52kPa ）不确定 7 . Refractive index不确定 8 . Flash point（ ºC ）不确定 9 . Specific rotation（ º ）不确定 10 . Spontaneous ignition point or ignition temperature（ ºC ）不确定 11 . Vapor pressure（ kPa,25ºC ）不确定 12 . Saturated vapor pressure（ kPa,60ºC ）不确定 13 . Combustion heat（ KJ/mol ）不确定 14 . Critical temperature（ ºC ）不确定 15 . Critical pressure（ KPa ）不确定 16 . Oil-water（Octanol / Water ）Logarithmic Value of Distribution Coefficient 不确定 17 . Upper limit of explosion（ %,V/V ）不确定 18 . Lower limit of explosion（ %,V/V ）不确定 19 . Solubility 不确定']
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Exact_Mass:
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162.07900
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Vapor_Pressure:
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1.51E-05mmHg at 25°C
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Flash_Point:
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175.2ºC
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PSA:
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32.34000
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Molecular_Structure:
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['1 . Molar refractive index 不确定 2 . Molar volume （cm', '3/mol）不确定 3 . Parachor （902K）不确定 4 . Surface tension 不确定 ', '5 . Polarizability 不确定']
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LogP:
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1.73980
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Bolling_Point:
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366ºC at 760 mmHg
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FW:
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162.18800
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Refractive_Index:
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1.565
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Melting_Point:
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200-203ºC(lit.)
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