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Barium bis(hydroxybenzenesulphonate)

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Barium bis(hydroxybenzenesulphonate)

EINECS 215-084-6
CAS No. 1300-37-4 Density N/A
PSA 171.62000 LogP 2.75420
Solubility N/A Melting Point N/A
Formula C12H10BaO8S2 Boiling Point N/A
Molecular Weight 483.66 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1300-37-4 (Barium bis(hydroxybenzenesulphonate)) Hazard Symbols N/A

barium(+2) cation; 2-hydroxybenzenesulfonate;


Barium bis(hydroxybenzenesulphonate) Specification

The Barium bis(hydroxybenzenesulphonate), with CAS registry number 1300-37-4, has the systematic name of barium bis(2-hydroxybenzenesulfonate). Besides this, it is also called Barium phenolsulfonate. And the chemical formula of this chemical is C12H10BaO8S2. What's more, its EINECS is 215-084-6.

Physical properties of Barium bis(hydroxybenzenesulphonate): (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -2.87; (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 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].O=S([O-])(=O)c1ccccc1O.[O-]S(=O)(=O)c1ccccc1O
(2)InChI: InChI=1/2C6H6O4S.Ba/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
(4)Std. InChI: InChI=1S/2C6H6O4S.Ba/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2

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