Showing Metabocard for fumarate (BASm0001717)
| Common Name | Fumarate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C4H2O4 |
| Average Mass | 114.05630 |
| Monoisotopic Mass | 113.99531 |
| IUPAC Name | (2E)-but-2-enedioic acid |
| Traditional Name | Maleic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])/C=C/C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ |
| InChI Key | VZCYOOQTPOCHFL-OWOJBTEDSA-L |
| CHEBI ID | CHEBI:29806 |
| MiMeDB ID | MMDBc0054486 |
| State | Expected Solid |
| Water Solubility | 2.41e+01 g/l |
| logP | 0.21 |
| logS | -0.68 |
| pKa (Strongest Acidic) | 3.55 |
| 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 | 24.61 m³·mol⁻¹ |
| Polarizability | 9.35 |