7-methyl-9-[(3-oxobutan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-methyl-9-[(3-oxobutan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-methyl-9-[(3-oxobutan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-0281 |
| Compound Name: | 7-methyl-9-[(3-oxobutan-2-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C17 H18 O4 |
| Smiles: | CC(C(C)=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3064 |
| logD: | 3.3064 |
| logSw: | -3.5429 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.149 |
| InChI Key: | CEJUOVMKOQQQBF-NSHDSACASA-N |