3-[(6-Amino-3-pyridazinyl)methyl]benzoic acid methyl ester (874338-90-6)

The 3-[(6-Amino-3-pyridazinyl)methyl]benzoic acid methyl ester with the cas number 874338-90-6 is also called Methyl 3-[(6-amino-3-pyridazinyl)methyl]benzoate. The systematic name is methyl 3-[(6-aminopyridazin-3-yl)methyl]benzoate. Its molecular formula is C₁₃H₁₃N₃O₂.The properties of the chemical are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 78.1Ų; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 67.759 cm³; (9)Molar Volume: 195.456 cm³; (10)Polarizability: 26.862×10^-24cm³; (11)Surface Tension: 57.106 dyne/cm; (12)Enthalpy of Vaporization: 74.523 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1)Cc2nnc(cc2)N
(2)InChI: InChI=1/C13H13N3O2/c1-18-13(17)10-4-2-3-9(7-10)8-11-5-6-12(14)16-15-11/h2-7H,8H2,1H3,(H2,14,16)
(3)InChIKey: FHLKSWUAONZQMA-UHFFFAOYAE