Zirconium oxide sulfate (62010-10-0)

The Zirconium oxide sulfate, with the CAS registry number 62010-10-0 and EINECS registry number 263-372-5, has the systematic name of oxygen(-2) anion; zirconium(+4) cation; sulfate. And the molecular formula of the chemical is O₅SZr.

The characteristics of Zirconium oxide sulfate are as followings: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.53; (4)ACD/LogD (pH 7.4): -5.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 82.98 Å²; (11)Enthalpy of Vaporization: 62.94 kJ/mol; (12)Boiling Point: 330 °C at 760 mmHg; (13)Vapour Pressure: 3.35E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Zr+4].[O-2].[O-]S([O-])(=O)=O
(2)InChI: InChI=1/H2O4S.O.Zr/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;-2;+4/p-2
(3)InChIKey: QRTRRDMHGTZPBF-NUQVWONBAI