The 5-Pyrimidinecarboxylicacid, 2-methoxy-, with the CAS registry number 344325-95-7, is also known as 2-Methoxy-5-pyrimidinecarboxylic acid. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C6H6N2O3 and molecular weight is 154.12. What's more, its systematic name is 2-methoxypyrimidine-5-carboxylic acid.
Physical properties of 5-Pyrimidinecarboxylicacid, 2-methoxy- are: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -3.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 61.31 Å2; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 36.04 cm3; (13)Molar Volume: 112.4 cm3; (14)Surface Tension: 61.1 dyne/cm; (15)Density: 1.371 g/cm3; (16)Flash Point: 173.7 °C; (17)Enthalpy of Vaporization: 64.33 kJ/mol; (18)Boiling Point: 363.6 °C at 760 mmHg; (19)Vapour Pressure: 6.33E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(OC)nc1
(2)InChI: InChI=1S/C6H6N2O3/c1-11-6-7-2-4(3-8-6)5(9)10/h2-3H,1H3,(H,9,10)
(3)InChIKey: VZSPKIQKRMTWRO-UHFFFAOYSA-N
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