chempirical

Lithium benzoate

C7H5LiO2CAS 553-54-8128.05 g/mol

Open in Covalent MOL file
O−OLi+
Carboxylic acid

Properties

Molecular formula
C7H5LiO2
Molar mass
128.05 g/mol
Exact mass
128.0450 Da
logP
1.00Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
553-54-8
SMILES
[O-]C(=O)c1ccccc1.[Li+]
InChIKey
FGQFWXDBSIBYLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);

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

Names and synonyms

3 names
  • Benzoic acid, lithium salt (1:1)
  • Benzoic acid, lithium salt
  • C6H5COOLi

Work with Lithium benzoate

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

Ferric benzoate14534-87-375 % similar Calcium benzoate2090-05-375 % similar Silver benzoate532-31-075 % similar Sodium benzoate532-32-175 % similar Zinc benzoate553-72-075 % similar Potassium benzoate582-25-275 % similar Mercury benzoate583-15-375 % similar Lithium salicylate552-38-552 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook