chempirical

Sodium 4-hydroxybenzenesulfonate

C6H5NaO4SCAS 825-90-1196.15 g/mol

Open in Covalent MOL file
O−SOOOHNa+
PhenolSulfonic acid

Properties

Molecular formula
C6H5NaO4S
Molar mass
196.15 g/mol
Exact mass
195.9806 Da
logP
0.26Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
825-90-1
SMILES
[O-]S(=O)(=O)c1ccc(O)cc1.[Na+]
InChIKey
ULUPAWKAWBVCAI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);

Weigh it out

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

Names and synonyms

10 names
  • Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1)
  • Benzenesulfonic acid, p-hydroxy-, monosodium salt
  • Benzenesulfonic acid, 4-hydroxy-, monosodium salt
  • Sodium p-hydroxyphenylsulfonate
  • Sodium p-hydroxybenzenesulfonate
  • p-Hydroxybenzenesulfonic acid monosodium salt
  • 4-Hydroxybenzenesulfonic acid sodium salt
  • Sodium p-phenolsulfonate
  • p-Hydroxybenzenesulfonic acid sodium salt
  • p-Phenolsulfonic acid sodium salt

Work with Sodium 4-hydroxybenzenesulfonate

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 P-phenolsulfonate dihydrate10580-19-588 % similar Potassium p-hydroxybenzenesulfonate30145-40-581 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-268 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-766 % similar Sodium benzenesulfonate515-42-459 % similar Sodium 4-methylbenzenesulfonate12068-03-059 % similar Sodium P-aminobenzenesulfonate515-74-259 % similar Sodium P-toluenesulfonate657-84-159 % similar

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

Elsewhere

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