1H-Imidazole-4,5-dicarboxylicacid, 2-propyl- (58954-23-7)

The 1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, with the CAS registry number 58954-23-7, has the systematic name of 2-propyl-1H-imidazole-4,5-dicarboxylic acid. This chemical is usually applied as the intermediate of antar tablet Olmesartan, with the product categories including organic acids; API intermediates.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 103.28 ; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 135.363 cm³; (16)Polarizability: 18.561 ×10^-24 cm³; (17)Surface Tension: 77.525 dyne/cm; (18)Density: 1.464 g/cm³; (19)Flash Point: 288.174 °C; (20)Enthalpy of Vaporization: 87.714 kJ/mol; (21)Boiling Point: 552.885 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)c1nc(nc1C(=O)O)CCC
(2)InChI:InChI=1/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
(3)InChIKey:BGPZYJSOTDBJMV-UHFFFAOYAI