chempirical

Chromium nicotinate

C18H12CrN3O6CAS 64452-96-6418.31 g/mol

Open in Covalent MOL file
O−ONO−ONO−ONCr3+
Carboxylic acid

Properties

Molecular formula
C18H12CrN3O6
Molar mass
418.31 g/mol
Exact mass
418.0131 Da
logP
0.78Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
64452-96-6
SMILES
[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1.[Cr+3]
InChIKey
HPCCGRCEBFBZQP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2.Cr/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);

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Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, chromium(3+) salt (3:1)
  • 3-Pyridinecarboxylic acid, chromium(3+) salt
  • Chromium(3+) 3-pyridinecarboxylate
  • Chromium(III) nicotinate
  • ChromaTech
  • Chromium polynicotinate

Work with Chromium nicotinate

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

Sodium nicotinate54-86-480 % similar 3-Propionylpyridine1570-48-550 % similar 3-Acetylpyridine350-03-850 % similar Chromium(III) picolinate14639-25-947 % similar 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-746 % similar Nicotinic acid chloride hydrochloride20260-53-146 % similar Inositol nicotinate6556-11-246 % similar Methyl nicotinate93-60-746 % similar

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

Elsewhere

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