4-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
4-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | D715-1124 |
| Compound Name: | 4-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoic acid |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C22 H20 O7 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7865 |
| logD: | 0.815 |
| logSw: | -4.0399 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.951 |
| InChI Key: | ZFAWDAKIKJZGIH-UHFFFAOYSA-N |