Showing Metabocard for 5-oxopentanoate (BASm0000527)
| Common Name | 5-oxopentanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C5H7O3 |
| Average Mass | 115.10900 |
| Monoisotopic Mass | 115.04007 |
| IUPAC Name | 5-oxopentanoic acid |
| Traditional Name | 5-oxopentanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=CCCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)/p-1 |
| InChI Key | VBKPPDYGFUZOAJ-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:16120 |
| MiMeDB ID | MMDBc0055582 |
| State | Expected Solid |
| Water Solubility | 1.03e+02 g/l |
| logP | -0.07 |
| logS | -0.05 |
| pKa (Strongest Acidic) | 4.33 |
| pKa (Strongest Basic) | -6.94 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 54.37 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 27.21 m³·mol⁻¹ |
| Polarizability | 11.26 |