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Barium bis(hydroxybenzenesulphonate)

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  • Name Barium bis(hydroxybenzenesulphonate)
  • EINECS215-084-6
  • CAS No. 1300-37-4
  • DensityN/A
  • PSA171.62000
  • LogP2.75420
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H10BaO8S2
  • Boiling PointN/A
  • Molecular Weight483.66
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1300-37-4 (Barium bis(hydroxybenzenesulphonate))
  • Hazard SymbolsN/A
  • SynonymsN/A

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
(3)InChIKey: SAMQGYDWPDZOHP-NUQVWONBAP
(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
(5)Std. InChIKey: SAMQGYDWPDZOHP-UHFFFAOYSA-L

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