Showing Metabocard for 2-methyleneglutarate (BASm0003168)
| Common Name | 2-methyleneglutarate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C6H6O4 |
| Average Mass | 142.11100 |
| Monoisotopic Mass | 142.02771 |
| IUPAC Name | 5-methoxy-5-oxopentanoic acid |
| Traditional Name | 5-methoxy-5-oxopentanoic acid |
| CAS Registry Number | Not Available |
| SMILES | C=C(CCC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)/p-2 |
| InChI Key | CWNNYYIZGGDCHS-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:58056 |
| MiMeDB ID | MMDBc0055255 |
| State | Expected Solid |
| Water Solubility | 5.76e+01 g/l |
| logP | 0.19 |
| logS | -0.40 |
| pKa (Strongest Acidic) | 4.22 |
| pKa (Strongest Basic) | -7.02 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 63.6 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 32.91 m³·mol⁻¹ |
| Polarizability | 14.31 |