1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0173-0028 |
| Compound Name: | 1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 258.16 |
| Molecular Formula: | C11 H16 N O |
| Salt: | Br- |
| Smiles: | CC(C)(C)C(C[n+]1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8216 |
| logD: | 1.8216 |
| logSw: | -1.5233 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.5495 |
| InChI Key: | RRXFMJVNPWVSEY-UHFFFAOYSA-N |