6-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
Chemical Structure Depiction of
6-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
6-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
Compound characteristics
| Compound ID: | 0945-0101 |
| Compound Name: | 6-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid |
| Molecular Weight: | 220.18 |
| Molecular Formula: | C11 H8 O5 |
| Smiles: | COc1ccc2c(C=C(C(O)=O)C(=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.7244 |
| logD: | -2.3456 |
| logSw: | -1.7795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.112 |
| InChI Key: | XIQQAIQZABTSNZ-UHFFFAOYSA-N |