Imidazo[1,2-a]pyrimidine-2-carboxylicacid (64951-10-6)

The Imidazo[1,2-a]pyrimidine-2-carboxylic acid, with the cas registry number of 64951-10-6, has the systematic name and IUPAC name of imidazo[1,2-a]pyrimidine-2-carboxylic acid. And its product categories are various, including Carboxylic Acids; Carboxylic Acids; Fused Ring Systems. The molecular formula of the chemical is C₇H₅N₃O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 56.49 Å²; (11)Index of Refraction: 1.738; (12)Molar Refractivity: 41.47 cm³; (13)Molar Volume: 102.9 cm³; (14)Polarizability: 16.44×10^-24cm³; (15)Surface Tension: 72.1 dyne/cm; (16)Density: 1.58 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nc2ncccn2c1
(2)InChI: InChI=1/C7H5N3O2/c11-6(12)5-4-10-3-1-2-8-7(10)9-5/h1-4H,(H,11,12)
(3)InChIKey: GHGDMYPURSIGNB-UHFFFAOYAB