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1198411-34-5

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Basic Information
CAS No.: 1198411-34-5
Name: 4-(5-Methyl-2-oxo-1(2H)-pyridinyl)benzonitrile
Molecular Structure:
Molecular Structure of 1198411-34-5 (4-(5-Methyl-2-oxo-1(2H)-pyridinyl)benzonitrile)
Formula: C13H10N2O
Molecular Weight: 210.235
Density: 1.238 g/cm3
Boiling Point: 423.195 °C at 760 mmHg
Flash Point: 209.741 °C
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Specification

The 4-(5-Methyl-2-oxo-1(2H)-pyridinyl)benzonitrile is an organic compound with the formula C13H10N2O. The systematic name of this chemical is 4-(5-methyl-2-oxo-1-pyridyl)benzonitrile. With the CAS registry number 1198411-34-5, it is also named as 1-(4-Cyanophenyl)-5-methyl-1H-pyridin-2-one.

Physical properties about 4-(5-Methyl-2-oxo-1(2H)-pyridinyl)benzonitrile are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 17.452; (4)ACD/KOC (pH 7.4): 17.452; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 44.1 Å2; (8)Index of Refraction: 1.633; (9)Molar Refractivity: 60.647 cm3; (10)Molar Volume: 169.795 cm3; (11)Polarizability: 24.042×10-24cm3; (12)Surface Tension: 56.323 dyne/cm; (13)Density: 1.238 g/cm3; (14)Flash Point: 209.741 °C; (15)Enthalpy of Vaporization: 67.749 kJ/mol; (16)Boiling Point: 423.195 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(=O)n(c1)c2ccc(cc2)C#N
(2)InChI: InChI=1/C13H10N2O/c1-10-2-7-13(16)15(9-10)12-5-3-11(8-14)4-6-12/h2-7,9H,1H3
(3)InChIKey: YGNLAKNPHZNQGX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H10N2O/c1-10-2-7-13(16)15(9-10)12-5-3-11(8-14)4-6-12/h2-7,9H,1H3
(5)Std. InChIKey: YGNLAKNPHZNQGX-UHFFFAOYSA-N