The 3-Pyridinecarboxaldehyde,2,6-dimethyl-, with the CAS registry number 650141-20-1, is also known as 2,6-Dimethylnicotinaldehyde. It belongs to the product categories of Pyridine; Building Blocks. This chemical's molecular formula is C8H9NO and molecular weight is 135.1632. Its systematic name is called 2,6-dimethylpyridine-3-carbaldehyde.
Physical properties of 3-Pyridinecarboxaldehyde,2,6-dimethyl-: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.09; (5)ACD/BCF (pH 7.4): 3.8; (6)ACD/KOC (pH 5.5): 73.45; (7)ACD/KOC (pH 7.4): 90.5; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 40.74 cm3; (12)Molar Volume: 126.8 cm3; (13)Surface Tension: 41.3 dyne/cm; (14)Density: 1.065 g/cm3; (15)Flash Point: 92.9 °C; (16)Enthalpy of Vaporization: 45.82 kJ/mol; (17)Boiling Point: 221.8 °C at 760 mmHg; (18)Vapour Pressure: 0.105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(nc1C)C
(2)InChI: InChI=1/C8H9NO/c1-6-3-4-8(5-10)7(2)9-6/h3-5H,1-2H3
(3)InChIKey: XTCAIKSFUUMBTP-UHFFFAOYAN
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