[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
Chemical Structure Depiction of
[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
Compound characteristics
| Compound ID: | 4789-4851 |
| Compound Name: | [(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile |
| Molecular Weight: | 241.24 |
| Molecular Formula: | C14 H11 N O3 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.7763 |
| logD: | 1.7763 |
| logSw: | -2.6014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.356 |
| InChI Key: | CTCDJYZLTPXDCR-UHFFFAOYSA-N |