1,2,5a,6,9,9a-hexahydro-1,4-epoxy-6,9-methano-3-benzoxepin-5(4H)-one
Chemical Structure Depiction of
1,2,5a,6,9,9a-hexahydro-1,4-epoxy-6,9-methano-3-benzoxepin-5(4H)-one
1,2,5a,6,9,9a-hexahydro-1,4-epoxy-6,9-methano-3-benzoxepin-5(4H)-one
Compound characteristics
| Compound ID: | 8008-5811 |
| Compound Name: | 1,2,5a,6,9,9a-hexahydro-1,4-epoxy-6,9-methano-3-benzoxepin-5(4H)-one |
| Molecular Weight: | 192.21 |
| Molecular Formula: | C11 H12 O3 |
| Smiles: | C1C2C=CC1C1C2C2COC(C1=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9688 |
| logD: | 0.9688 |
| logSw: | -1.017 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.761 |
| InChI Key: | WWJUWUYPLQLOEI-UHFFFAOYSA-N |