chempirical

Monosodium citrate

C6H7NaO7CAS 18996-35-5214.10 g/mol

Open in Covalent MOL file
O−OHOOOHOHONa+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H7NaO7
Molar mass
214.10 g/mol
Exact mass
214.0089 Da
logP
-1.63Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
18996-35-5
SMILES
[O-]C(=O)CC(O)(CC(=O)O)C(=O)O.[Na+]
InChIKey
OQUFOZNPBIIJTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Na/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);

Weigh it out

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

Names and synonyms

8 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:1)
  • Citric acid, monosodium salt
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt
  • Sodium citrate (NaC6H7O7)
  • Sodium dihydrogen citrate
  • Monosodium dihydrogen citrate
  • Citrofluyl
  • E 331i

Work with Monosodium citrate

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

Disodium citrate144-33-284 % similar Potassium citrate7778-49-682 % similar Sodium 1,2,3-propanetricarboxylate hydrate (4:2:3)6132-05-476 % similar Magnesium hydrogen citrate144-23-073 % similar Magnesium citrate (3:2)3344-18-173 % similar Magnesium citrate7779-25-173 % similar Citric acid77-92-968 % similar Copper citrate10402-15-068 % similar

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

Elsewhere

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