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More_Info:
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['1 . Appearance White or 浅Yellow 粉末 ', '2 . Density(g/mL,25/4℃)1287 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)195-197 ', '5 . Boiling point(ºC,15mmHg)不确定 ', '6 . Boiling point(ºC,52kPa)不确定 ', '7 . Refractive index(C=08, EtOH)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 20℃时在下列溶剂中的溶解度(g/100ml溶剂)氯仿41;甲苯13;醋酸乙酯11;丙酮10;异丙醇2;乙烷1;甲醇1。 20 最大吸收波长265nm']
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Computational_Chemistry:
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['1 . XlogP 97 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 465 ', '7 . Heavy Atom Count 32 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 613 ', '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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