chempirical

Potassium 4-carboxybenzenesulfonate

C7H5KO5SCAS 5399-63-3240.27 g/mol

Open in Covalent MOL file
O−OSOOOHK+
Carboxylic acidSulfonic acid

Properties

Molecular formula
C7H5KO5S
Molar mass
240.27 g/mol
Exact mass
239.9495 Da
logP
0.25Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
5399-63-3
SMILES
[O-]C(=O)c1ccc(S(=O)(=O)O)cc1.[K+]
InChIKey
CHOZCOOPUIGENN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);

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

Names and synonyms

10 names
  • Benzoic acid, 4-sulfo-, potassium salt (1:1)
  • Benzoic acid, 4-sulfo-, monopotassium salt
  • Benzoic acid, p-sulfo-, p-potassium salt
  • p-Sulfobenzoic acid monopotassium salt
  • Potassium 4-sulfobenzoate
  • Monopotassium p-sulfobenzoate
  • Monopotassium 4-sulfobenzoate
  • Potassium hydrogen 4-sulfobenzoate
  • Potassium hydrogen 4-sulfonatobenzoate
  • 4-Sulfobenzoic acid monopotassium salt

Work with Potassium 4-carboxybenzenesulfonate

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 m-sulfobenzoate17625-03-555 % similar Potassium benzoate582-25-252 % similar Potassium P-aminobenzoate138-84-151 % similar 5-Sodiosulfoisophthalic acid6362-79-449 % similar 5-Sulfoisophthalic acid sodium salt7800-91-149 % similar [1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-447 % similar 4-Hydroxybenzenesulfonic acid98-67-944 % similar 5-Nitro-2-carboxybenzenesulfonic acid potassium salt5344-48-944 % similar

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

Elsewhere

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