4-({[3-(carboxymethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({[3-(carboxymethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
4-({[3-(carboxymethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | D715-0249 |
| Compound Name: | 4-({[3-(carboxymethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C21 H18 O7 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4998 |
| logD: | 0.0411 |
| logSw: | -3.4002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.951 |
| InChI Key: | WFUFKDJUNYTJAW-UHFFFAOYSA-N |