1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium
Chemical Structure Depiction of
1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium
1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium
Compound characteristics
Compound ID: | 0134-0060 |
Compound Name: | 1-(3,3-dimethyl-2-oxobutyl)-3-[(hydroxyimino)methyl]pyridin-1-ium |
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-UHFFFAOYSA-O |