chempirical

Sodium citrate dihydrate

C6H9Na3O9CAS 6132-04-3294.10 g/mol

Open in Covalent MOL file
O−OHOO−OO−OH2OH2ONa+Na+Na+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H9Na3O9
Molar mass
294.10 g/mol
Exact mass
293.9940 Da
Melting point
150 °C (decomposes)
logP
-4.04Crippen estimate
Polar surface area
195.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
6132-04-3
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.O.O.[Na+].[Na+].[Na+]
InChIKey
PQRTVVJRFXOOGJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2

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

Names and synonyms

5 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (1:3:2)
  • Citric acid, trisodium salt, dihydrate
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate
  • Trisodium citrate dihydrate
  • N 1560

Work with Sodium citrate dihydrate

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

Trisodium citrate68-04-289 % similar Ferric citrate trihydrate17217-76-481 % similar Trilithium citrate tetrahydrate6080-58-681 % similar Tripotassium citrate monohydrate6100-05-681 % similar Micro-green10024-66-571 % similar Iron citrate2338-05-871 % similar Ferrous citrate23383-11-171 % similar Aluminium citrate31142-56-071 % similar

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

Elsewhere

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