More_Info:
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['1 . Appearance Colourless 晶体or White 粒状粉末,无臭,有清凉感并稍带辣味。 ', '2 . Density(g/mL,20/4℃)1008 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)300 ', '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 Soluble in Water and 甘油,难Soluble in Ethanol 。']
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Computational_Chemistry:
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['1. Hydrogen Bond Donor Count 1 ', '2. Hydrogen Bond Acceptor Count 7 ', '3. Rotatable Bond Count 2 ', '4. TPSA 141 ', '5. Heavy Atom Count 16 ', '6. Topological Polar Surface Area 0 ', '7. Complexity 211 ', '8. Isotope Atom Count 0 ', '9. Defined Atom Stereocenter Count 0 ', '10. Undefined Atom Stereocenter Count 0 ', '11. Defined Bond Stereocenter Count 0 ', '12. Undefined Bond Stereocenter Count 0 ', '13. Covalently-Bonded Unit Count 4']
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