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Computational_Chemistry:
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['1. XlogP :-27 ', '2. Hydrogen Bond Donor Count 3 ', '3. Hydrogen Bond Acceptor Count 6 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count 2 ', '6. TPSA :119 ', '7. Heavy Atom Count 21 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 380 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '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 White 结晶粉末，无臭，有强甜味。甜味近似蔗糖，甜度为蔗糖的150~200倍，甜味阈值为0001%~0007%。可Soluble in Water ，25℃时的溶解度为1020%。在甲醇 Ethanol 中的溶解度分别为372%and 026%。在Water 溶液中易Water 解。在酸性条件下分解成单体氨基酸，在中性or 碱性时可环化为二酮哌嗪，温度升高，反应速度加快。08%溶液的PH值约45~60。 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）242-248 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index 145 ° (C=4, 15mol/L Formic Acid) ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）155 º (c=4, 15N formic acid) ', '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 Unknow']
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