Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor (902K)N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 261051634 Da ', '8. Nominal mass 261 Da ', '9. Average mass 2616623 Da']
|
Computational_Chemistry:
|
['1 . XlogP N/A可用 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 984 ', '6 . Heavy Atom Count 17 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 394 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 4 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
|
More_Info:
|
['1 . Appearance White 针状结晶体or 结晶性粉末。 ', '2 . Density(g/mL,25/4℃) 无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)269-270 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa) 无可用 ', '7 . Refractive index -21 ', '8 . Flash point(ºC) 无可用 ', '9 . Specific rotation(º)-218 ', '10 . Spontaneous ignition point or ignition temperature(ºC) 无可用 ', '11 . Vapor pressure(kPa,25ºC) 无可用 ', '12 . Saturated vapor pressure(kPa,60ºC) 无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC) 无可用 ', '15 . Critical pressure(KPa) 无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V) 无可用 ', '19 . Solubility 易Soluble in Water ,微Soluble in Ethanol ,几乎不微Soluble in Ethyl ether ,氯仿and 苯。']
|