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Molecular_Structure:
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['1 . Molar refractive index 37960 ', '2 . Molar volume 7990 ', '3 . Parachor （902K）30166 ', '4 . Surface tension : 2031 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 15048']
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Flash_Point:
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198°C
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Refractive_Index:
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1.927
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FW:
|
1701.198
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Density:
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2.1±0.1 g/cm3
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Melting_Point:
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218 °C(lit.)
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Computational_Chemistry:
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['1 . XlogP 62 ', '2 . Hydrogen Bond Donor Count 25 ', '3 . Hydrogen Bond Acceptor Count 46 ', '4 . Rotatable Bond Count 31 ', '5 . Isotope Atom Count 970 ', '6 . TPSA 778 ', '7 . Heavy Atom Count 122 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 3570 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 5 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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LogP:
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13.33
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Water_Solubility:
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250 g/L (20 ºC)
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PSA:
|
777.98000
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MF:
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C76H52O46
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More_Info:
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['1. Appearance Yellow or 棕Yellow 无定形松散粉末，在Atmosphere 中颜色逐渐变深，有强吸湿性。 ', '2. Melting point（ºC）>360 ', '3. Flash point（ºC） 19889 ', '4. Spontaneous ignition point or ignition temperature（ºC） 52667 ', '5. Solubility Soluble in Water and Ethanol 。几乎Insoluble in 醚苯氯仿and 石油醚，鞣花酸含有四个酚羟基，具有弱酸性，可Soluble in 碱性Water 溶液and 苯乙酸乙酯等有机溶剂。']
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Exact_Mass:
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1700.172974
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