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Molecular_Structure:
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['1. Molar refractive index 5954 ', '2. Molar volume 1705 ', '3. Parachor (902K)4683 ', '4. Surface tension 568 ', '5. Dielectric constant N/A ', '6. Polarizability 236 ', '7. Single isotope mass 226077598 Da ', '8. Nominal mass 226 Da ', '9. Average mass 2262954 Da']
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LogP:
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2.23060
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Flash_Point:
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>230 °F
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Refractive_Index:
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n20/D 1.547(lit.)
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FW:
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226.29500
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Density:
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1.517 g/mL at 25 °C(lit.)
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Bolling_Point:
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85 °C15 mm Hg(lit.)
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Computational_Chemistry:
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['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 718 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :288 ', '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 :1']
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PSA:
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71.78000
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MF:
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C10H14N2O2S
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More_Info:
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['1摩尔. Refractive index5954 ', '2摩尔体积(m3/mol)1705 ', '3等张比容(902K)4683 ', '4表面张力(dyne/cm)568 ', '5介电常数无可用的 ', '6极化率(10-24cm3)236 ', '7单一同位素质量226077598 Da ', '8标称质量226 Da ', '9平均质量2262954 Da']
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Vapor_Pressure:
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3.92E-11mmHg at 25°C
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Exact_Mass:
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226.07800
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