Showing Metabocard for butanoate (BASm0001142)
| Common Name | Butanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C4H7O2 |
| Average Mass | 87.09900 |
| Monoisotopic Mass | 87.04515 |
| IUPAC Name | butanoic acid |
| Traditional Name | Butanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 |
| InChI Key | FERIUCNNQQJTOY-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:17968 |
| MiMeDB ID | MMDBc0054375 |
| State | Expected Solid |
| Water Solubility | 2.39e+02 g/l |
| logP | 0.78 |
| logS | 0.43 |
| pKa (Strongest Acidic) | 4.91 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 21.87 m³·mol⁻¹ |
| Polarizability | 9.23 |