Sodium 2-oxobutyrate

C4H5NaO3CAS 2013-26-5124.07 g/mol

Open in Covalent MOL file
OO−ONa+
Carboxylic acidKetone

Properties

Molecular formula
C4H5NaO3
Molar mass
124.07 g/mol
Exact mass
124.0136 Da
logP
-0.33Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
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
2013-26-5
SMILES
CCC(=O)C([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

5 names
  • Butanoic acid, 2-oxo-, sodium salt (1:1)
  • Butyric acid, 2-oxo-, sodium salt
  • Butanoic acid, 2-oxo-, sodium salt
  • Sodium α-ketobutyrate
  • 2-Oxobutyric acid sodium salt

Work with Sodium 2-oxobutyrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Ketobutyric acid600-18-0Free acid

Similar compounds

Sodium α-ketoisocaproate4502-00-555 % similar Disodium α-ketoglutarate305-72-652 % similar Sodium propionate137-40-650 % similar 3,4-Hexanedione4437-51-850 % similar Sodium oxalate62-76-050 % similar Sodium phenylpyruvate114-76-145 % similar Sodium pyruvate113-24-644 % similar Sodium phenylpyruvate monohydrate122049-54-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook