|
Molecular_Structure:
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['1. Molar refractive index 79332 ', '2. Molar volume 21563 ', '3. Parachor （902K）60854 ', '4. Surface tension 634 ', '5. Dielectric constant N/A ', '6. Polarizability 3145 ', '7. Single isotope mass 3145649508 Da ', '8. Nominal mass 3144 Da ', '9. Average mass 31476076 Da']
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|
LogP:
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-3.65
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Refractive_Index:
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1.657
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FW:
|
3147.608
|
|
Density:
|
1.5±0.1 g/cm3
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|
Computational_Chemistry:
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['1. XlogP :-103 ', '2. Hydrogen Bond Donor Count :48 ', '3. Hydrogen Bond Acceptor Count :47 ', '4. Rotatable Bond Count :107 ', '5. Isotope Atom Count :1001 ', '6. TPSA 1340 ', '7. Heavy Atom Count :222 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :7000 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :28 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
PSA:
|
1340.85000
|
|
Exact_Mass:
|
3145.649414
|
|
More_Info:
|
['1 . Appearance 有特臭的淡Yellow or 淡灰色无晶形粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '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,20ºC）Unknow ', '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 Water 10mg/ml']
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|
MF:
|
C142H224N40O39S
|
