|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :9 ', '6. TPSA 607 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :411 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :6 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
More_Info:
|
['1 . Appearance White 结晶性粉末 ', '2 相对. Density（g/mL,25/4℃）127 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）280-282°C(lit) ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 52 kPa）Unknow ', '7 . Refractive index58 ° (C=04, Dioxane) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）[α]25D+344°(吡啶)25D+58°±5°(4%，二氧六环) ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25 ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60 ºC）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 本晶难Soluble in Water ，微Soluble in Ethanol (1500) Ethyl ether 氯仿二氧六环and 植物油，易Soluble in 吡啶and 氢氧化碱溶液']
|
