Levulinic acid
Properties
- Molecular formula
- C5H8O3
- Molar mass
- 116.12 g/mol
- Exact mass
- 116.0473 Da
- Density
- 1.1447 g/mL (at 15 °C)
- Melting point
- 33 °C
- Boiling point
- 245.5 °C
- logP
- 0.44Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
123-76-2SMILES
CC(=O)CCC(=O)OInChIKey
JOOXCMJARBKPKM-UHFFFAOYSA-NInChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Pentanoic acid, 4-oxo-
- 4-Oxopentanoic acid
- β-Acetylpropionic acid
- γ-Ketovaleric acid
- Laevulinic acid
- Levulic acid
- 3-Acetylpropionic acid
- 4-Oxovaleric acid
- 4-Ketovaleric acid
- NSC 3716
- 3-Oxobutanecarboxylic acid
- 3-Acetylpropanoic acid
- Lev-OH
Reactions
Work with Levulinic acid
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Oxohexanoic acid3128-06-174 % similar
Succinylacetone51568-18-465 % similar
Hexane-2,5-dione110-13-463 % similar
Succinic acid110-15-663 % similar
Diammonium succinate2226-88-255 % similar
Butyric acid107-92-650 % similar
4-Hydroxy-2-butanone590-90-950 % similar
Polybutylene succinate25777-14-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds