4-(hydroxyimino)-3-methylcyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-(hydroxyimino)-3-methylcyclohexa-2,5-dien-1-one
4-(hydroxyimino)-3-methylcyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 1298-0044 |
| Compound Name: | 4-(hydroxyimino)-3-methylcyclohexa-2,5-dien-1-one |
| Molecular Weight: | 137.13 |
| Molecular Formula: | C7 H7 N O2 |
| Smiles: | CC1=CC(C=C\C1=N/O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9036 |
| logD: | 0.1939 |
| logSw: | -0.5511 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.986 |
| InChI Key: | MSDYBZSZDFKGIH-UHFFFAOYSA-N |