Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 8 ', '2 . Hydrogen Bond Acceptor Count 18 ', '3 . Rotatable Bond Count 8 ', '4 . Isotope Atom Count 17 ', '5 . TPSA 307 ', '6 . Heavy Atom Count 44 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1600 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 2 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 最大吸收波长540nm,有毒紫褐色粉末。Soluble in Water ,溶液呈玫瑰红色。在浓硫酸中呈绿色,在碱性溶液中呈蓝色。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)>320 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,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 Soluble in 碱溶液,微Soluble in Water (如是钠盐则可Soluble in Water ),Insoluble in Ethanol , Ethyl ether and 丙酮。在Water 溶液中呈玖瑰红色,在硫酸中为绿色,在碱性溶液中为蓝色。性质稳定。']
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