Computational_Chemistry:
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['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 123 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '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 针状结晶or 结晶性粉末,具有特殊的酸味,在Atmosphere 中长期放置会氧化变色。 2 . Density(g/mL,25℃)1204 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)1345 ', '5 . Boiling point(ºC,分解)228(dec),153ºC(6665pa) ', '6 . Boiling point(ºC,kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)127 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)001 ', '12 . Saturated vapor pressure(kPa, ºC)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 微Soluble in Water ,Soluble in 丙二醇,无Water Ethanol and 甲醇,冰乙酸,丙酮,苯,四氯化碳,环己烷,二氧六环,甘油,异丙醇,异丙醚,乙酸甲酯,甲苯。']
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