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Computational_Chemistry:
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['1 . XlogP 12 ', '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 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 685 ', '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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More_Info:
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['1 . Appearance Colourless to 淡Yellow Liquid ，呈刺鼻的辛辣的羊乳干酪气味，低浓度时呈愉快的Water 果香气，味辛棘。 ', '2 . Density（g/mL,25℃）0938 ', '3 相对. Density（20℃，4℃）09410 ', '4 . Melting point（ºC）-70 ', '5 . Boiling point（ºC,Atmospheric pressure）177 ', '6 . Boiling point（ºC, 28KPa）84 ', '7 常温. Refractive index（n20）14051 ', '8 . Flash point（ºC）73 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-29029 ', '10 气相标准声称热(焓)( kJ·mol-1) -4937 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-28422 ', '12 液相标准声称热(焓)( kJ·mol-1)-5544 ', '13 液相标准热熔(J·mol-1·K-1)2170 ', '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 and 甘油，Soluble in Ethanol and 丙二醇。']
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