|
Density:
|
2.381
|
|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 7 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 101 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 426 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 7']
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|
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 888721416Da ', '8. Nominal mass 889Da ', '9. Average mass 8889282Da']
|
|
LogP:
|
3.60140
|
|
Melting_Point:
|
207-210 (dec.)(lit.)
|
|
FW:
|
888.928
|
|
PSA:
|
141.76000
|
|
MF:
|
C15H20I4NNaO9
|
|
More_Info:
|
['1 . Appearance 粉末。 ', '2 . Density（g/mL,25/4℃）2381 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '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 Unknow。']
|
|
Exact_Mass:
|
888.721436
|
