2-Pyrimidinecarboxylicacid, methyl ester (34253-03-7)

The 2-Pyrimidinecarboxylicacid, methyl ester with cas registry number of 34253-03-7 belongs to the following categories: pyrimidine; esters; pyrazines, pyrimidines & pyridazines; API intermediates. Both its systematic name and IUPAC name are the same which is called methyl pyrimidine-2-carboxylate.

The physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.02; (5)ACD/KOC (pH 7.4): 9.02; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.513; (10)Molar Refractivity: 34.2 cm³; (11)Molar Volume: 113.7 cm³; (12)Surface Tension: 48.6 dyne/cm; (13)Density: 1.213 g/cm³; (14)Flash Point: 105.8 °C; (15)Enthalpy of Vaporization: 48.86 kJ/mol; (16)Boiling Point: 251.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0207 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncccn1;
(2)InChI: InChI=1/C6H6N2O2/c1-10-6(9)5-7-3-2-4-8-5/h2-4H,1H3;
(3)InChIKey: JOQJEWAXHQDQAG-UHFFFAOYAO