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MF:
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C11H12O5
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Density:
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1.225 g/mL at 20ºC(lit.)
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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 :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 618 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :263 ', '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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More_Info:
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['1 . Appearance 淡Yellow Liquid ', '2 . Density（g/mLat 20°C）1225 ', '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,01mmHg）140 ', '7 . Refractive index（n20/D）1531 ', '8 . Flash point（ºC）109 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
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Exact_Mass:
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224.06800
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Vapor_Pressure:
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0.000985mmHg at 25°C
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Flash_Point:
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109ºC
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PSA:
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61.83000
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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 5647 ', '2 . Molar volume （m3/mol）1892 ', '3 . Parachor （902K）4736 ', '4 . Surface tension 392 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2238']
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LogP:
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1.26840
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Bolling_Point:
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140ºC0.1 mm Hg(lit.)
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FW:
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224.21000
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Refractive_Index:
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n20/D 1.531
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