PSA:
|
83.55000
|
Bolling_Point:
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385.2±32.0 °C at 760 mmHg
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4737 ', '2 . Molar volume (m3/mol)1358 ', '3 . Parachor (902K)3868 ', '4 . Surface tension 657 ', '5 . Polarizability 1878']
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LogP:
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0.38
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More_Info:
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['一物性数据 ', '1 . Appearance 晶体状粉末,带White 的 ', '2 . Density1112g/mLat 25°C(lit ', '3 . Melting point(ºC)300 ', '4 . Refractive index112 ', '5 . Specific rotation(º) 113']
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MF:
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C9H11NO3
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 836 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :176 ', '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']
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Melting_Point:
|
310-314ºC
|
Refractive_Index:
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1.614
|
Flash_Point:
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186.7±25.1 °C
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FW:
|
181.189
|
Exact_Mass:
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181.073898
|
Vapor_Pressure:
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0.0±0.9 mmHg at 25°C
|
Density:
|
1.3±0.1 g/cm3
|