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13824-85-6

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Basic Information
CAS No.: 13824-85-6
Name: zirconium sulphate
Molecular Structure:
Molecular Structure of 13824-85-6 (zirconium sulphate)
Formula: O4SZr
Molecular Weight: 187.29
Synonyms: Sulfuric acid, zirconium(2+) salt (1:1);
EINECS: 237-519-9
Boiling Point: 330 °C at 760 mmHg
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Specification

Zirconium(2+) sulfate is an organic compound with the formula O4SZr, and its systematic name is the same with the product name. With the CAS registry number 13824-85-6, it is also named as Sulfuric acid, zirconium(2+) salt (1:1). Its EINECS number is 237-519-9. In addition, the molecular weight is 187.29.

Physical properties of Zirconium(2+) sulfate are: (1)ACD/LogP: -1.031; (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): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (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.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zr+2].[O-]S([O-])(=O)=O
(2)Std. InChI: InChI=1S/H2O4S.Zr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
(3)Std. InChIKey: GUYNKEPUWSILOX-UHFFFAOYSA-L