3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl propanoate
Chemical Structure Depiction of
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl propanoate
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl propanoate
Compound characteristics
| Compound ID: | 4270-0425 |
| Compound Name: | 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl propanoate |
| Molecular Weight: | 266.68 |
| Molecular Formula: | C13 H11 Cl O4 |
| Smiles: | CCC(=O)Oc1ccc2C(C)=C(C(=O)Oc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.809 |
| logD: | 2.809 |
| logSw: | -3.3264 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.215 |
| InChI Key: | JQYIXGWWNDPQCL-UHFFFAOYSA-N |