chempirical

Iron(III) citrate

C6H5FeO7CAS 3522-50-7244.94 g/mol

Open in Covalent MOL file
O−OHOO−OO−OFe3+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H5FeO7
Molar mass
244.94 g/mol
Exact mass
244.9385 Da
logP
-1.25Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
3522-50-7
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[Fe+3]
InChIKey
HUTBITLDXCEAPZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Fe/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);

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Names and synonyms

6 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron(3+) salt (1:1)
  • Citric acid, iron(3+) salt (1:1)
  • Ferric citrate
  • Fe(III)-citrate complex (1:1)
  • Zerenex
  • Fexeric

Work with Iron(III) 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

Ammonium ferric citrate1185-57-589 % similar Ferric citrate trihydrate17217-76-489 % similar Micro-green10024-66-579 % similar Aluminium citrate31142-56-079 % similar Trisodium citrate68-04-279 % similar Bismuth citrate813-93-479 % similar Potassium citrate866-84-279 % similar Bismuth ammonium citrate31886-41-671 % similar

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

Same formula

Iron citrate2338-05-8 Ferrous citrate23383-11-1

Elsewhere

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