1H-1,2,4-Triazole-3-carboxylicacid, 1-phenyl- (24036-63-3)

The 1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid with the cas number 24036-63-3 is also called 1H-1,2,4-Triazole-3-carboxylicacid, 1-phenyl-. Its molecular formula is C₉H₇N₃O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.07; (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): 1.04; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 68.01 Å²; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 50.69 cm³; (13)Molar Volume: 135.2 cm³; (14)Polarizability: 20.09×10^-24cm³; (15)Surface Tension: 60.5 dyne/cm; (16)Enthalpy of Vaporization: 73.34 kJ/mol; (17)Vapour Pressure: 1.76×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncn(n1)c2ccccc2
(2)InChI: InChI=1/C9H7N3O2/c13-9(14)8-10-6-12(11-8)7-4-2-1-3-5-7/h1-6H,(H,13,14)
(3)InChIKey: ACFQGTMTFLDFLP-UHFFFAOYAS