4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1710 |
| Compound Name: | 4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.84 |
| Molecular Formula: | C19 H23 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3975 |
| logD: | 5.3975 |
| logSw: | -5.9546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.478 |
| InChI Key: | ZAUVCFCNYZKSBJ-UHFFFAOYSA-N |