Ethanone,1-(5-pyrimidinyl)- (10325-70-9)

 The 1-(5-Pyrimidinyl)ethanone with the cas number 10325-70-9, is also called (1)1-(5-Pyrimidinyl)-ethanone ; (2)1-(Pyrimidin-5-yl)ethanone ; (3)ethanone, 1-(5-pyrimidinyl)- ; (4)1-(Pyrimidin-5-yl)ethan-1-one ; (5)5-Acetylpyrimidine. It belongs to the following product categories:(1)Acetylgroup; (2)Pyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: -0.89 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.89 ; (4)ACD/LogD (pH 7.4): -0.89 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 7.85 ; (8)ACD/KOC (pH 7.4): 7.85 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 42.85Ų ; (13)Index of Refraction: 1.516 ; (14)Molar Refractivity: 32.46 cm³ ; (15)Molar Volume: 107.4 cm³ ; (16)Polarizability: 12.86 ×10^-24cm³ ; (17)Surface Tension: 46.6 dyne/cm ; (18)Density: 1.136 g/cm³ ; (19)Flash Point: 92.1 °C ; (20)Enthalpy of Vaporization: 46.1 kJ/mol ; (21)Boiling Point: 224.5 °C at 760 mmHg ; (22)Vapour Pressure: 0.0909 mmHg at 25°C

You can still convert the following datas into molecular structure :
(1) SMILES: O=C(c1cncnc1)C
(2) InChI:InChI=1/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3