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CAS No.: | 1131-33-5 |
---|---|
Name: | 2-PHENYLPYRIDINE 1-OXIDE |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C11H9NO |
Molecular Weight: | 171.199 |
Synonyms: | 2-Phenylpyridine, 1-oxide; |
Density: | 1.06 g/cm3 |
Melting Point: | 155-155.5 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 400.8 °C at 760 mmHg |
Flash Point: | 196.2 °C |
PSA: | 25.46000 |
LogP: | 2.78210 |
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The Pyridine, 2-phenyl-,1-oxide, with the CAS registry number of 1131-33-5, is also known as 2-Phenylpyridine, 1-oxide. This chemical's molecular formula is C11H9NO and molecular weight is 171.2. What's more, its IUPAC name is 1-Oxido-2-phenylpyridin-1-ium.
Physical properties about the Pyridine, 2-phenyl-,1-oxide are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 24.11 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 52.94 cm3; (9)Molar Volume: 160.6 cm3; (10)Surface Tension: 42.1 dyne/cm; (11)Density: 1.06 g/cm3; (12)Flash Point: 196.2 °C; (13)Enthalpy of Vaporization: 62.63 kJ/mol; (14)Boiling Point: 400.8 °C at 760 mmHg; (15)Vapour Pressure: 2.86E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]2ccccc2c1ccccc1
(2) InChI: InChI=1/C11H9NO/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(3) InChIKey: MZBZERKDGUOLBE-UHFFFAOYAE