Computational_Chemistry:
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['1 . XlogP 34 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 465 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 181 ', '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 White 结晶性粉末 ', '2 . Density(g/mL, 25℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)75-77 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC 4mmHg)不确定 ', '7 . Refractive index(nD20)不确定 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º, C=10, 甲醇)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(mmHg,20ºC)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 在Water 中的溶解度(g/100mg)10℃0016g,20℃0019g,25℃0035g。易Soluble in Ethanol Ethyl ether 丙酮冰醋酸丙二醇']
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