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54123-21-6

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Basic Information
CAS No.: 54123-21-6
Name: 3-(2-PYRIDYL)-3-OXOPROPANENITRILE
Article Data: 13
Molecular Structure:
Molecular Structure of 54123-21-6 (3-(2-PYRIDYL)-3-OXOPROPANENITRILE)
Formula: C8H6N2O
Molecular Weight: 146.148
Synonyms: 2-Pyridinepropionitrile,b-oxo- (7CI);3-Oxo-3-(2-pyridinyl)propanenitrile;3-Oxo-3-(pyridin-2-yl)propionitrile;
Density: 1.178 g/cm3
Melting Point: 97-99°C
Boiling Point: 1.178 g/cm3
Flash Point: 142.919 °C
Hazard Symbols: IrritantXi
PSA: 53.75000
LogP: 1.17798
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    CBNumber： CB2362700 name： 3-(2-PYRIDYL)-3-OXOPROPANENITRILE MF： C8H6N2O MW： 146.15 CAS： 54123-21-6 MOL： Mol file

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Specification

The 3-Oxo-3-(2-pyridinyl)propanenitrilec ,its cas register number is 54123-21-6.It also can be called as 2-Pyridinepropanenitrile,b-oxo- and the Systematic name about this chemical is 3-Oxo-3-(pyridin-2-yl)propanenitrile .HazardClass about this chemical is Irritant.

Following are the chemical properties about 3-Oxo-3-(2-pyridinyl)propanenitrilec :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 53.75Å2 ; (5)Index of Refraction: 1.54 ; (6)Molar Refractivity: 38.918 cm3 ; (7)Molar Volume: 124.077 cm3 ; (8)Polarizability: 15.428x10-24cm3 ; (9)Surface Tension: 52.938 dyne/cm; (10)Enthalpy of Vaporization: 55.372 kJ/mol ; (11)Vapour Pressure: 0.001 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=C(c1ncccc1)CC#N
(2)InChI: InChI=1/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2
(3)InChIKey: POACVIKYJGGGPA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2
(5)Std. InChIKey: POACVIKYJGGGPA-UHFFFAOYSA-N