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Vapor_Pressure:
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0.0493mmHg at 25°C
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More_Info:
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['1 . Appearance 纯品为White 晶体。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）86～87 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（kPa,20ºC）1333 ', '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 易Soluble in 丙酮甲醇 Ethanol 等有机溶剂，25℃时在Water 中溶解度为85g/L。对酸碱稳定，无腐蚀性。']
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Bolling_Point:
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228.2ºC at 760 mmHg
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Flash_Point:
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91.8ºC
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LogP:
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0.27630
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PSA:
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46.00000
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FW:
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198.176
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MF:
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C4H5NO2
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Molecular_Structure:
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['1. Molar refractive index 2322 ', '2. Molar volume 835 ', '3. Parachor （902K）1981 ', '4. Surface tension 316 ', '5. Dielectric constant N/A ', '6. Polarizability 92 ', '7. Single isotope mass 99032028 Da ', '8. Nominal mass 99 Da ', '9. Average mass 99088 Da']
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Computational_Chemistry:
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['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 383 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :128 ', '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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Exact_Mass:
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198.064056
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Melting_Point:
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80°C
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Refractive_Index:
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1.467
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Density:
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1.185 g/cm3
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