Showing Metabocard for 2-methyl-trans-aconitate (BASm0003796)
| Common Name | 2-methyl-trans-aconitate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C7H5O6 |
| Average Mass | 185.11300 |
| Monoisotopic Mass | 185.01026 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C/C(C(=O)[O-])=C(/CC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3+ |
| InChI Key | NUZLRKBHOBPTQV-ONEGZZNKSA-K |
| CHEBI ID | CHEBI:58915 |
| MiMeDB ID | MMDBc0055253 |
| 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 |