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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4560 ', '2 . Molar volume （m3/mol）1353 ', '3 . Parachor （902K）3559 ', '4 . Surface tension 478 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1807']
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LogP:
|
1.42510
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|
Flash_Point:
|
>230 °F
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|
Refractive_Index:
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n20/D 1.5730(lit.)
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FW:
|
177.15700
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Density:
|
1.289 g/mL at 25 °C(lit.)
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|
Bolling_Point:
|
249-250 °C(lit.)
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 479 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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:
|
47.89000
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|
MF:
|
C9H7NO3
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|
More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）1289 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）249-250 ', '6 . Boiling point（ºC，03mmHg）Unknow ', '7 . Refractive indexn 20/D 15730(lit) ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 Unknow']
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Vapor_Pressure:
|
0.00267mmHg at 25°C
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|
Exact_Mass:
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177.04300
|
