4-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
4-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0033 |
| Compound Name: | 4-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C17 H12 O5 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1ccc2C=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1218 |
| logD: | 0.1503 |
| logSw: | -3.2849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.281 |
| InChI Key: | OKAIWTQEFODSTO-UHFFFAOYSA-N |