1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0134-0060 |
| Compound Name: | 1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 301.18 |
| Molecular Formula: | C12 H17 N2 O2 |
| Salt: | Br- |
| Smiles: | CC(C)(C)C(C[n+]1cccc(/C=N/O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1022 |
| logD: | 2.101 |
| logSw: | -2.2582 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.458 |
| InChI Key: | UDNYORJANBVETJ-NTUHNPAUSA-O |