3-Oxobutanoic acid lithium salt

C₄H₅LiO₃CAS 3483-11-2108.02 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₄H₅LiO₃
Molar mass: 108.02 g/mol
Exact mass: 108.0399 Da
logP: -4.28Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

3483-11-2

SMILES

[Li+].CC(=O)CC(=O)[O-]

InChIKey

UTLRZTUJSMCBHB-UHFFFAOYSA-M

InChI

InChI=1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1

Weigh it out

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Names and synonyms

1 names

Lithium acetoacetate

Work with 3-Oxobutanoic acid lithium 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

Acetylacetone123-54-650 % similar Sodium levulinate19856-23-648 % similar Calcium levulinate591-64-048 % similar Disodium malonate141-95-744 % similar Thallous malonate2757-18-844 % similar Lithium stearate4485-12-541 % similar Disodium propanedioate hydrate26522-85-039 % similar Lithium acetate546-89-438 % similar

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

Elsewhere

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