Sodium P-phenolsulfonate dihydrate

C6H9NaO6SCAS 10580-19-5232.18 g/mol

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HOSOOO−H2OH2ONa+
PhenolSulfonic 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium 4-hydroxybenzenesulfonate825-90-1Anhydrous 4-Hydroxybenzenesulfonic acid98-67-9Free acid Potassium p-hydroxybenzenesulfonate30145-40-5Salt Zinc phenolsulfonate127-82-2Salt

Similar compounds

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 Chrysoine resorcinol547-57-952 % similar Zinc P-toluenesulfonate hydrate123334-05-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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