Sodium P-phenolsulfonate dihydrate

C₆H₉NaO₆SCAS 10580-19-5232.18 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₆H₉NaO₆S
Molar mass: 232.18 g/mol
Exact mass: 232.0018 Da
logP: -4.35Crippen estimate
Polar surface area: 140.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

10580-19-5

SMILES

C1=CC(=CC=C1O)S(=O)(=O)[O-].O.O.[Na+]

InChIKey

SXONATFNYJWFNK-UHFFFAOYSA-M

InChI

InChI=1S/C6H6O4S.Na.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;;/h1-4,7H,(H,8,9,10);;2*1H2/q;+1;;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Hydroxybenzenesulfonic acid sodium salt dihydrate

Work with Sodium P-phenolsulfonate dihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium 4-hydroxybenzenesulfonate825-90-188 % similar Potassium p-hydroxybenzenesulfonate30145-40-572 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-262 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-760 % similar Sodium benzenesulfonate515-42-453 % similar Sodium 4-methylbenzenesulfonate12068-03-053 % similar Sodium P-aminobenzenesulfonate515-74-253 % similar Sodium P-toluenesulfonate657-84-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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