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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 433932277 Da ', '8. Nominal mass 434 Da ', '9. Average mass 4342224 Da']
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|
LogP:
|
0.46650
|
|
FW:
|
434.222
|
|
Density:
|
4.37
|
|
Bolling_Point:
|
200°C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :15 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 195 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :188 ', '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 :10']
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|
Melting_Point:
|
96℃
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|
PSA:
|
262.02000
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|
MF:
|
H12CeN3O15
|
|
More_Info:
|
['1. Appearance White 结晶，工业品呈微红色，有潮解性。 ', '2. Melting point（℃）150 ', '3. Boiling point（℃）200（分解） ', '4. Solubility 易Soluble in Water ，Soluble in Ethanol 丙酮。']
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|
Exact_Mass:
|
433.932281
|
