Showing Metabocard for 2-hydroxy-5-carboxymethylmuconate semialdehyde (BASm0003147)
| Common Name | 2-hydroxy-5-carboxymethylmuconate semialdehyde |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C8H6O6 |
| Average Mass | 198.13100 |
| Monoisotopic Mass | 198.01754 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C/C(=C\C=C(/O)C(=O)[O-])CC(=O)[O-] |
| InChI Identifier | InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/p-2/b5-1-,6-2- |
| InChI Key | NLXIEJRQAIHYPN-IOBHVTPZSA-L |
| CHEBI ID | CHEBI:58030 |
| MiMeDB ID | MMDBc0055236 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |