methyl 2-[(6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoate
methyl 2-[(6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoate
Compound characteristics
| Compound ID: | Y040-0862 |
| Compound Name: | methyl 2-[(6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoate |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C3CCCCCC=3C(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5692 |
| logD: | 3.5692 |
| logSw: | -3.6516 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.375 |
| InChI Key: | BIODYAWGGUDHNK-NSHDSACASA-N |