HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Ethyl-2-hydroxy-3-oxobutanoic acid
alpha-aceto-alpha-hydroxybutyrate · Butanoic acid, 2-ethyl-2-hydroxy-3-oxo- · α-Acetohydroxybutyric Acid DISCONTINUED · Butanoic acid, 2-ethyl-2-hydroxy-3-oxo- (9CI)
Identifiers & Physical Properties
| CAS No. | 3142-65-2 |
|---|---|
| Molecular formula | C6H10O4 |
| Average molar mass | 146.14 g/mol |
| Monoisotopic mass | 146.0579088 g/mol |
| SMILES | CCC(O)(C(C)=O)C(=O)O |
| InChIKey | VUQLHQFKACOHNZ-UHFFFAOYSA-N |
| PubChem CID | 21 |
| ChEBI | CHEBI:982 |
| DTXSID | DTXSID901344214 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 163 |
| Boiling point | 290.5±25.0 °C(Predicted) |
| Density | 1.250±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.65±0.36(Predicted) |