methyl 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
Chemical Structure Depiction of
methyl 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
methyl 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate
Compound characteristics
| Compound ID: | 4789-5006 |
| Compound Name: | methyl 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]butanoate |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CCC(C(=O)OC)Oc1ccc2C3CCCC=3C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6211 |
| logD: | 3.6211 |
| logSw: | -3.7236 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.064 |
| InChI Key: | ZXFVADJEOCKHRY-AWEZNQCLSA-N |