The CAS registry number of 5-Pyrimidineaceticacid, ethyl ester is 6214-48-8. This chemical is also known as Ethyl 2-(pyrimidin-5-yl)acetate. The molecular formula of it is C8H10N2O2 and molecular weight is 166.1772. Its systematic name is called ethyl pyrimidin-5-ylacetate.
Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 22.25; (4)ACD/KOC (pH 7.4): 22.25; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.504; (9)Molar Refractivity: 43.02 cm3; (10)Molar Volume: 145.1 cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.144 g/cm3; (13)Flash Point: 108.7 °C; (14)Enthalpy of Vaporization: 49.37 kJ/mol; (15)Boiling Point: 256.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0156 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1cncnc1)OCC
(2)InChI: InChI=1/C8H10N2O2/c1-2-12-8(11)3-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3
(3)InChIKey: JYFYKRSTLSLCFM-UHFFFAOYAK
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