6-chloro-4-ethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-ethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-4-ethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0244 |
| Compound Name: | 6-chloro-4-ethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 294.73 |
| Molecular Formula: | C15 H15 Cl O4 |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6142 |
| logD: | 3.6142 |
| logSw: | -3.8288 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.348 |
| InChI Key: | VPTHTXHNVGIBIQ-VIFPVBQESA-N |