Computational_Chemistry:
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['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 405 ', '7 . Heavy Atom Count 6 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 247 ', '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 低黏度Colourless 透明Liquid ', '2 . Density(g/mL,25ºC)1015 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-91 ', '5 . Boiling point(ºC,Atmospheric pressure)214 ', '6 . Boiling point(ºC,20mmHg)123-125 ', '7 . Refractive index(nD20)1445 ', '8 . Flash point(ºF)>230 ', '9 常温. Refractive index(n25)14435 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,100ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20ºC)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 与Water Ethanol 丁醇苯乙烯四氢呋喃丙酮碳酸丙烯酯等溶剂互溶。Insoluble in 环己烷苯二甲苯己烷。']
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