Showing Metabocard for propanoate (BASm0000908)
| Common Name | Propanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C3H5O2 |
| Average Mass | 73.07200 |
| Monoisotopic Mass | 73.02950 |
| IUPAC Name | propanoic acid |
| Traditional Name | Propanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CCC(=O)[O-] |
| InChI Identifier | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:17272 |
| MiMeDB ID | MMDBc0054645 |
| State | Expected Solid |
| Water Solubility | 3.52e+02 g/l |
| logP | 0.31 |
| logS | 0.68 |
| pKa (Strongest Acidic) | 4.75 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 17.27 m³·mol⁻¹ |
| Polarizability | 7.25 |