Showing Metabocard for 2-oxopentanoate (BASm0001578)
| Common Name | 2-oxopentanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C5H7O3 |
| Average Mass | 115.10900 |
| Monoisotopic Mass | 115.04007 |
| IUPAC Name | 2-oxopentanoic acid |
| Traditional Name | 2-oxopentanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CCCC(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1 |
| InChI Key | KDVFRMMRZOCFLS-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:28644 |
| MiMeDB ID | MMDBc0055276 |
| State | Expected Solid |
| Water Solubility | 3.27e+01 g/l |
| logP | 0.48 |
| logS | -0.55 |
| pKa (Strongest Acidic) | 3.38 |
| pKa (Strongest Basic) | -9.66 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 54.37 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 27.22 m³·mol⁻¹ |
| Polarizability | 11.19 |