Computational_Chemistry:
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['四计算化学数据 ', '1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 125 ', '6 . Heavy Atom Count 21 ', '7 . Topological Polar Surface Area -1 ', '8 . Complexity 553 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 1 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 棕Yellow 粉末。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '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,25ºC)Unknow ', '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 Soluble in Water 为绿光Yellow ,微Soluble in 乙二醇 Ethyl ether ,Soluble in Ethanol 。']
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