chempirical

Sodium rhodizonate

C6Na2O6CAS 523-21-7214.04 g/mol

Open in Covalent MOL file
O−O−OOOONa+Na+
Phenol

Properties

Molecular formula
C6Na2O6
Molar mass
214.04 g/mol
Exact mass
213.9490 Da
logP
-3.35Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Identifiers

CAS number
523-21-7
SMILES
[O-]c1c([O-])c(=O)c(=O)c(=O)c1=O.[Na+].[Na+]
InChIKey
UYVDBJBSAPKNAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;

Weigh it out

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

Names and synonyms

7 names
  • 5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, sodium salt (1:2)
  • 5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, disodium salt
  • Sodium, [(3,4,5,6-tetraoxo-1-cyclohexen-1,2-ylene)dioxy]di-
  • Rhodizonic acid, disodium deriv.
  • Sodium, [(3,4,5,6-tetraoxo-1-cyclohexene-1,2-diyl)bis(oxy)]di-
  • Disodium rhodizonate
  • Disodium rhodizonate (Na2C6O6)

Work with Sodium 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

Dipotassium rhodizonate13021-40-467 % similar Sodium pentachlorophenolate131-52-236 % similar Sodium 2,4,5-trichlorophenolate136-32-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook