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Molecular_Structure:
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['1. Molar refractive index 12019 ', '2. Molar volume 3711 ', '3. Parachor （902K）9307 ', '4. Surface tension 395 ', '5. Dielectric constant N/A ', '6. Polarizability 4765 ', '7. Single isotope mass 421200156 Da ', '8. Nominal mass 421 Da ', '9. Average mass 4214889 Da']
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LogP:
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5.02680
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Flash_Point:
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284.1ºC
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FW:
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421.48900
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Density:
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1.13 g/cm3
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Bolling_Point:
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546.2ºC at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 749 ', '7. Heavy Atom Count :31 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :592 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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PSA:
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74.94000
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MF:
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C24H27N3O4
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More_Info:
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['1 . Appearance White 结晶 ', '2 . Density（g/mL,20℃）125 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1017 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）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（Pa,25ºC）>747×10-6 ', '12 . Saturated vapor pressure（KPa,20ºC）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 甲苯061g/L，丙酮154g/L，甲醇151g/L，己烷40g/L，难Soluble in Water ']
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Exact_Mass:
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421.20000
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