3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | D715-0261 |
| Compound Name: | 3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 282.68 |
| Molecular Formula: | C13 H11 Cl O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 2.4543 |
| logD: | -0.0419 |
| logSw: | -2.9024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.092 |
| InChI Key: | XWLAZIUBADTDSF-UHFFFAOYSA-N |