5-Methyl-[1,3,4]oxadiazole-2-carboxylic acid (518048-06-1)

The 5-Methyl-[1,3,4]oxadiazole-2-carboxylic acid with the CAS number 518048-06-1 is also called 1,3,4-oxadiazole-2-carboxylic acid, 5-methyl-. Its molecular formula is C₄H₄N₂O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 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): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 76.22 Å²; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 26.48 cm³; (12)Molar Volume: 87.4 cm³; (13)Polarizability: 10.5×10^-24cm³; (14)Surface Tension: 65.9 dyne/cm; (15)Enthalpy of Vaporization: 59.05 kJ/mol; (16)Vapour Pressure: 0.000157 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nnc(C)o1
(2)InChI: InChI=1/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
(3)InChIKey: QPXQPPXGTQABCW-UHFFFAOYAU