3-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-1-methylpyridin-1-ium--iodide (1/1)
3-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0350-0081 |
| Compound Name: | 3-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-1-methylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 331.15 |
| Molecular Formula: | C12 H14 N O2 |
| Salt: | I- |
| Smiles: | C/C(/C=C/c1ccc[n+](C)c1)=C\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.847 |
| logD: | -2.2659 |
| logSw: | -1.6958 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.881 |
| InChI Key: | KXUJBQMNBUREKG-FTKIWFIZSA-O |