2-Pyridinecarboxaldehyde,3-(phenylmethoxy)- (94454-57-6)

The 3-Benzyloxy-2-formylpyridine, with the CAS registry number 94454-57-6, is also known as 3-(Benzyloxy)-2-picolinaldehyde and 2-Pyridinecarboxaldehyde, 3-(phenylmethoxy)-. This chemical's molecular formula is C₁₃H₁₁NO₂ and formula weight is 213.23194. What's more, its systematic name is called 3-Benzyloxypyridine-2-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.6; (6)ACD/BCF (pH 7.4): 55.94; (7)ACD/KOC (pH 5.5): 616.55; (8)ACD/KOC (pH 7.4): 620.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 62.26 cm³; (15)Molar Volume: 179 cm³; (16)Surface Tension: 49.6 dyne/cm; (17)Density: 1.191 g/cm³; (18)Flash Point: 174.8 °C; (19)Enthalpy of Vaporization: 61.17 kJ/mol; (20)Boiling Point: 365.4 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COc2cccnc2C=O
(2)InChI: InChI=1/C13H11NO2/c15-9-12-13(7-4-8-14-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
(3)InChIKey: WYLVNASPZUFUJS-UHFFFAOYAE