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MF:
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C8H7NO4
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Bolling_Point:
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104-106 °C0.1 mm Hg(lit.)
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Exact_Mass:
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181.03800
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More_Info:
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['物性数据 1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL ,25/4℃）12855 ', '3 . Refractive index（nD20）15340 ', '4 . Flash point（℃）＞110 ', '5 . Melting point（℃）-13 ', '6 . Boiling point（ºC,067kpaor 5 mmHg） 275 ', '7 . Solubility Soluble in Ethanol Ethyl ether 甲醇氯仿and 苯，Insoluble in Water 。']
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Melting_Point:
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−13 °C(lit.)
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|
PSA:
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72.12000
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Flash_Point:
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>230 °F
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Refractive_Index:
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n20/D 1.534(lit.)
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Density:
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1.28 g/mL at 25 °C(lit.)
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4457 ', '2 . Molar volume （m3/mol）1391 ', '3 . Parachor （902K）3676 ', '4 . Surface tension 486 ', '5 . Polarizability （10 -24cm 3）1766']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 721 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :211 ', '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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FW:
|
181.14500
|
|
LogP:
|
1.90460
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