|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 791 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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 :1']
|
|
Flash_Point:
|
224.7±25.9 °C
|
|
More_Info:
|
['一物性数据 ', '1. Appearance White or 类White 结晶性粉末 ', '2. Density（g/mL ,25/4℃）1065 ', '3. Melting point（℃）282-285℃ ', '4. Specific rotation（º, C=1, WATER）315° ', '5. Solubility Soluble in 热 Ethanol ，碱溶液and Water ，Insoluble in 氯仿，Water 溶液呈弱酸性。']
|
|
PSA:
|
79.11000
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Refractive_Index:
|
1.698
|
|
FW:
|
204.225
|
|
LogP:
|
1.04
|
|
Bolling_Point:
|
447.9±35.0 °C at 760 mmHg
|
|
Exact_Mass:
|
204.089874
|
|
MF:
|
C11H12N2O2
|
|
Melting_Point:
|
282-285ºC
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5776 ', '2 . Molar volume （m3/mol）1498 ', '3 . Parachor （902K）4353 ', '4 . Surface tension 711 ', '5 . Polarizability 2290']
|
