6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0447 |
| Compound Name: | 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 308.76 |
| Molecular Formula: | C16 H17 Cl O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9756 |
| logD: | 3.9756 |
| logSw: | -4.3326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.478 |
| InChI Key: | RWMGVXPEIFWKIM-UHFFFAOYSA-N |