|
FW:
|
153.09900
|
|
MF:
|
C4H3N5O2
|
|
Refractive_Index:
|
2.219
|
|
More_Info:
|
['1 . Appearance Colourless 结晶。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>270(一Water 合物) ', '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 Soluble in 热Water ，Insoluble in Ethanol 。']
|
|
Exact_Mass:
|
153.02900
|
|
PSA:
|
107.29000
|
|
Computational_Chemistry:
|
['1 . XlogP -06 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 23 ', '6 . TPSA 95 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 304 ', '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 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Density:
|
2.64g/cm3
|
|
Melting_Point:
|
>230°C
|
|
Molecular_Structure:
|
['1. Molar refractive index 3138 ', '2. Molar volume 86 ', '3. Parachor （902K）2717 ', '4. Surface tension 992 ', '5. Dielectric constant N/A ', '6. Polarizability 1244 ', '7. Single isotope mass 153028674 Da ', '8. Nominal mass 153 Da ', '9. Average mass 1530989 Da']
|
