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The Methanone,(1-oxido-4-pyridinyl)phenyl-, with the CAS registry number of 14178-29-1, is also known as (1-Oxido-4-pyridinyl)(phenyl)methanone. Its molecular formula is C12H9NO2 and molecular weight is 199.205360. What's more, its IUPAC name is (1-Oxidopyridin-1-ium-4-yl)-phenylmethanone.
Physical properties about the Methanone,(1-oxido-4-pyridinyl)phenyl- are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.18 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 58.4 cm3; (9)Molar Volume: 174.1 cm3; (10)Surface Tension: 46 dyne/cm Density: 1.14 g/cm3; (11)Flash Point: 213.3 °C; (12)Enthalpy of Vaporization: 68.44 kJ/mol; (13)Boiling Point: 429.1 °C at 760 mmHg; (14)Vapour Pressure: 1.44E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]2ccc(C(=O)c1ccccc1)cc2
(2) InChI: InChI=1/C12H9NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9H
(3) InChIKey: UQNSTGILJBPJQN-UHFFFAOYAX