|
Refractive_Index:
|
1.81
|
|
LogP:
|
4.31400
|
|
PSA:
|
181.15000
|
|
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 444990201Da ', '8. Nominal mass 445Da ', '9. Average mass 4453988Da']
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|
Computational_Chemistry:
|
['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 23 ', '6 . TPSA 158 ', '7 . Heavy Atom Count 28 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 923 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 1 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
>300°C
|
|
MF:
|
C17H14NNaO9S2
|
|
Exact_Mass:
|
463.000763
|
|
FW:
|
463.414
|
|
Density:
|
1.823g/cm3
|
|
More_Info:
|
['1 . Appearance 鲜橙色结晶性粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）300（分解） ', '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。']
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