Alpha-ketovaleric acid
Properties
- Molecular formula
- C5H8O3
- Molar mass
- 116.12 g/mol
- Exact mass
- 116.0473 Da
- Density
- 1.097 g/mL (at 14 °C)
- Melting point
- 6.5 °C
- Boiling point
- 179 °C
- logP
- 0.44Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
1821-02-9SMILES
CCCC(=O)C(=O)OInChIKey
KDVFRMMRZOCFLS-UHFFFAOYSA-NInChI
InChI=1S/C5H8O3/c1-2-3-4(6)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, 2-oxo-
- Valeric acid, 2-oxo-
- 2-Oxopentanoic acid
- α-Oxovaleric acid
- α-Oxo-n-valeric acid
- α-Ketovaleric acid
- 2-Oxovaleric acid
- α-Oxopentanoic acid
- 2-Ketovaleric acid
- α-Keto-Valeric acid
- 2-Ketopentanoic acid
- 2-Oxo-n-valeric acid
- 2-Ketopentanoate
Work with Alpha-ketovaleric 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
α-Ketobutyric acid600-18-058 % similar
α-Ketoglutaric acid328-50-754 % similar
2,3-Hexanedione3848-24-650 % similar
Butyric acid107-92-648 % similar
Alpha-ketoisocaproic acid816-66-046 % similar
Bromopyruvic acid1113-59-346 % similar
α-Oxobenzenebutanoic acid710-11-245 % similar
Potassium hydrogen α-ketoglutarate997-43-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds