2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)

C₆H₂Na₂O₆CAS 1887-02-1216.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Na₂O₆
Molar mass: 216.06 g/mol
Exact mass: 215.9647 Da
logP: -0.97Crippen estimate
Polar surface area: 115.1 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

1887-02-1

SMILES

[O-]C1=C([O-])C(=O)C(O)=C(O)C1=O.[Na+].[Na+]

InChIKey

SKKLCGZRLDOAMH-UHFFFAOYSA-N

InChI

InChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;;

Weigh it out

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

Names and synonyms

4 names

p-Benzoquinone, 2,3,5,6-tetrahydroxy-, disodium salt
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, disodium salt
Sodium, [(dihydroxy-p-benzoquinonylene)dioxy]di-
Tetrahydroxyquinone, disodium salt

Work with 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)

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.

Tetrahydroxy-1,4-benzoquinone319-89-1Parent compound

Similar compounds

Sodium bicarbonate144-55-842 % similar Sodium percarbonate15630-89-436 % similar Sodium sesquicarbonate533-96-036 % similar Sodium carbonate497-19-835 % similar Sodium oxalate62-76-035 % similar Chloranilic acid87-88-735 % similar Sodium diacetate126-96-532 % similar Sodium fumarate5873-57-432 % similar

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

Elsewhere

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