4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoic acid
4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-1275 |
| Compound Name: | 4-{[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C21 H14 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1cc(c2C(c3ccccc3Oc2c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4461 |
| logD: | 1.4747 |
| logSw: | -4.4401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.382 |
| InChI Key: | VVGDKPAICMUBJI-UHFFFAOYSA-N |