chempirical

Dipotassium rhodizonate

C6K2O6CAS 13021-40-4246.26 g/mol

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Phenol

Properties

Molecular formula
C6K2O6
Molar mass
246.26 g/mol
Exact mass
245.8969 Da
logP
-3.35Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Identifiers

CAS number
13021-40-4
SMILES
[O-]c1c([O-])c(=O)c(=O)c(=O)c1=O.[K+].[K+]
InChIKey
LCBGQMVPSDZJJJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2O6.2K/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;

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Names and synonyms

5 names
  • 5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, potassium salt (1:2)
  • 5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, dipotassium salt
  • Potassium, [(3,4,5,6,-tetraoxo-1-cyclohexen-1,2-ylene)dioxy]di-
  • Rhodizonic acid, dipotassium deriv.
  • Potassium rhodizonate

Work with Dipotassium rhodizonate

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 rhodizonate523-21-767 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook