chempirical

Sodium butyrate

C4H7NaO2CAS 156-54-7110.09 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C4H7NaO2
Molar mass
110.09 g/mol
Exact mass
110.0344 Da
Melting point
251 °C
logP
0.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
156-54-7
SMILES
CCCC([O-])=O.[Na+]
InChIKey
SWEYNHYBJHPVJL-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);

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

Names and synonyms

9 names
  • Butanoic acid, sodium salt (1:1)
  • Butyric acid, sodium salt
  • Butanoic acid, sodium salt
  • Sodium butanoate
  • Butyrate sodium
  • Sodium n-butyrate
  • Sodium propanecarboxylate
  • Gustor XXI B 70
  • Adimix

Work with Sodium butyrate

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 valerate6106-41-875 % similar Calcium butyrate5743-36-274 % similar Sodium hexanoate10051-44-272 % similar Sodium caprate1002-62-669 % similar Sodium octanoate1984-06-169 % similar Sodium palmitate408-35-569 % similar Sodium laurate629-25-469 % similar Sodium myristate822-12-869 % similar

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

Elsewhere

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