Benzenesulfonic acid,4-hydroxy-, zinc salt (2:1) (127-82-2)

The Zinc p-hydroxybenzene-sulfonate, with its CAS registry number 127-82-2, has the IUPAC name of zinc 4-hydroxybenzenesulfonate. For being a kind of colorless to white crystalline solid, it is soluble in water, and its product categories are including Organic-metal Salt.

The characteristics of Zinc p-hydroxybenzene-sulfonate are as follows: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.17; (4)ACD/LogD (pH 7.4): -5.2; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.98; (13)Exact Mass: 409.910855; (14)MonoIsotopic Mass: 409.910855; (15)Topological Polar Surface Area: 172; (16)Heavy Atom Count: 23; (17)Complexity: 194.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2]
(2)InChI: InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
(3)InChIKey: ZNVKGUVDRSSWHV-UHFFFAOYSA-L 

Below are the toxicity information of this chemical:

Reported in EPA TSCA Inventory.