|
MF:
|
C9H15NO2
|
|
Water_Solubility:
|
soluble
|
|
Bolling_Point:
|
325.9±34.0 °C at 760 mmHg
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|
Exact_Mass:
|
169.110275
|
|
More_Info:
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['1 . Appearance White 针状结晶 ', '2 . Density（g/mL,60℃）0998 ', '3 . Melting point（ºC）565～58 ', '4 . Boiling point（ºC,Atmospheric pressure）120 ', '5 . Solubility Soluble in Water 甲醇 Ethanol 丙酮四氢呋喃醋酸乙酯丙烯腈苯乙烯正己醇等。Insoluble in 正庚烷石油醚（30-60℃）。 ', '6 . Flash point（ºC）126']
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|
Melting_Point:
|
54-56 °C(lit.)
|
|
PSA:
|
46.17000
|
|
Flash_Point:
|
139.4±25.8 °C
|
|
Refractive_Index:
|
1.450
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4708 ', '2 . Molar volume 1752 ', '3 . Parachor （902K）4124 ', '4 . Surface tension 306 ', '5 . Polarizability 1866']
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|
Computational_Chemistry:
|
['1 . XlogP 04 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 462 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 207 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
FW:
|
169.221
|
|
LogP:
|
-0.05
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
