1-(3,3-dimethyl-2-oxobutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(3,3-dimethyl-2-oxobutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
1-(3,3-dimethyl-2-oxobutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0173-0037 |
| Compound Name: | 1-(3,3-dimethyl-2-oxobutyl)-4-[(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+]1ccc(/C=N/O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9455 |
| logD: | 1.9451 |
| logSw: | -2.2925 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.565 |
| InChI Key: | DOVGKEZPAQXELV-UHFFFAOYSA-O |