Molecular_Structure:
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['1. Molar refractive index 1161 ', '2. Molar volume 3382 ', '3. Parachor (902K)9315 ', '4. Surface tension 575 ', '5. Dielectric constant N/A ', '6. Polarizability 4602 ', '7. Single isotope mass 470194068 Da ', '8. Nominal mass 470 Da ', '9. Average mass 4705116 Da']
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Computational_Chemistry:
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['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 105 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1010 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 9 ', '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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More_Info:
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['1 . Appearance Colourless 结晶(由二氯甲烷-异丙醇or 醋酸中结晶)。 2 . Density( g/cm', '3,25 ℃ ) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)298 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,05mmHg)Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º,C=121, 丙酮)-128 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,25ºC)10E-17 ', '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 Ethanol and 冰醋酸,微Soluble in Water and Ethyl ether 。']
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