1-Propanone,1-(3-pyridinyl)- (1570-48-5)

The 1-(3-Pyridyl)propan-1-one, with CAS registry number 1570-48-5, has the systematic name of 1-(pyridin-3-yl)propan-1-one. And its IUPAC name is the same one. Its refractive index is 1.5240. When use this chemical, avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 3.39; (7)ACD/KOC (pH 5.5): 83.21; (8)ACD/KOC (pH 7.4): 83.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 39 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 15.46×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Enthalpy of Vaporization: 47.37 kJ/mol; (19)Vapour Pressure: 0.0461 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(c1cccnc1)CC
(2)InChI: InChI=1/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
(3)InChIKey: VDNKJMUNLKAGAM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
(5)Std. InChIKey: VDNKJMUNLKAGAM-UHFFFAOYSA-N