1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester (57226-96-7)

The 1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester ,its cas register number is 57226-96-7. It also can be called as 4]triazole-3-carboxylic acid methyl ester and the Systematic name about this chemicals is methyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate .

Following are the chemical properties about 1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester :(1)#H bond acceptors: 5 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 57.01 Å² ; (5)Index of Refraction: 1.614; (6)Molar Refractivity: 55.651 cm³ ; (7)Molar Volume: 159.688 cm³ ; (8)Surface Tension: 48.686 dyne/cm; (9)Enthalpy of Vaporization: 60.978 kJ/mol

This chemicals can be described computed from structure:
(1)SMILES: COC(=O)c1ncn(n1)c2ccccc2
(2)InChI: InChI=1/C10H9N3O2/c1-15-10(14)9-11-7-13(12-9)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: RZRJXKHAJZSLIP-UHFFFAOYAJ