chempirical

Aluminium citrate

C6H5AlO7CAS 31142-56-0216.08 g/mol

Open in Covalent MOL file
O−OHOO−OO−OAl3+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H5AlO7
Molar mass
216.08 g/mol
Exact mass
215.9851 Da
logP
-1.63Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
31142-56-0
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[Al+3]
InChIKey
GPDXEQOKQXLJCK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Al/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

5 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt (1:?)
  • Aluminum citrate
  • Citric acid, aluminum salt
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt
  • Tiorco 677

Work with Aluminium 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

Micro-green10024-66-579 % similar Iron citrate2338-05-879 % similar Ferrous citrate23383-11-179 % similar Iron(III) citrate3522-50-779 % similar Trisodium citrate68-04-279 % similar Bismuth citrate813-93-479 % similar Potassium citrate866-84-279 % similar Ammonium ferric citrate1185-57-571 % similar

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

Elsewhere

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