More_Info:
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['1 . Appearance White 粉末结晶 2 . Density( g/cm', '3,25 ℃ ) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)67-69 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,05mmHg)Unknow ', '7 . Refractive index(°, C=1, MeOH)-26 ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(º, c=24 in 95% EtOH)-185 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,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 不能溶解的']
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Molecular_Structure:
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['1 . Molar refractive index 7385 ', '2 . Molar volume (m3/mol)2260 ', '3 . Parachor (902K)6053 ', '4 . Surface tension : 514 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 2927']
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Computational_Chemistry:
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['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 756 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 292 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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