chempirical

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

C4H3KN2O3CAS 888504-28-7166.18 g/mol

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Carboxylic acid

Properties

Molecular formula
C4H3KN2O3
Molar mass
166.18 g/mol
Exact mass
165.9781 Da
Melting point
258.3 °C (decomposes)
logP
-0.30Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
888504-28-7
SMILES
Cc1nnc(C([O-])=O)o1.[K+]
InChIKey
PYKIGFHZXPMVQL-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);

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Names and synonyms

4 names
  • 1,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-, potassium salt (1:1)
  • 1,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-, potassium salt
  • Potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
  • 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium

Work with 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt

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

Potassium benzoate582-25-233 % similar 5-Methyl-1,3,4-oxadiazol-2-amine52838-39-832 % similar Potassium p-aminobenzoate138-84-131 % similar

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

Elsewhere

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