Showing Metabocard for malonate (BASm0000433)
| Common Name | Malonate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C3H2O4 |
| Average Mass | 102.04560 |
| Monoisotopic Mass | 101.99531 |
| IUPAC Name | propanedioic acid |
| Traditional Name | Malonic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])CC(=O)[O-] |
| InChI Identifier | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2 |
| InChI Key | OFOBLEOULBTSOW-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:15792 |
| MiMeDB ID | MMDBc0054554 |
| State | Expected Solid |
| Water Solubility | 1.97e+02 g/l |
| logP | -0.60 |
| logS | 0.28 |
| pKa (Strongest Acidic) | 2.43 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 74.6 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 18.99 m³·mol⁻¹ |
| Polarizability | 8.14 |