methyl 2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
methyl 2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Compound characteristics
| Compound ID: | Y040-0297 |
| Compound Name: | methyl 2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate |
| Molecular Weight: | 296.7 |
| Molecular Formula: | C14 H13 Cl O5 |
| Smiles: | CC(C(=O)OC)Oc1cc2c(cc1[Cl])C(C)=CC(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0422 |
| logD: | 3.0422 |
| logSw: | -3.4565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.695 |
| InChI Key: | MZGZTTOLDYUJAK-QMMMGPOBSA-N |