4-ethyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
4-ethyl-2-oxo-2H-1-benzopyran-7-yl acetate
4-ethyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | Y040-1118 |
| Compound Name: | 4-ethyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8543 |
| logD: | 1.8543 |
| logSw: | -2.657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.397 |
| InChI Key: | KZDVBTUMPAUMTH-UHFFFAOYSA-N |