6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | K677-0007 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 252.65 |
| Molecular Formula: | C12 H9 Cl O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3135 |
| logD: | 2.3135 |
| logSw: | -3.1696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.483 |
| InChI Key: | STZWZDDYVDAWDQ-UHFFFAOYSA-N |