5-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)furan-2-carboxylic acid
Chemical Structure Depiction of
5-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)furan-2-carboxylic acid
5-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y040-9412 |
| Compound Name: | 5-({[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)furan-2-carboxylic acid |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C20 H18 O8 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.5976 |
| logD: | -1.3864 |
| logSw: | -2.9031 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.792 |
| InChI Key: | QLEFVQLQRLHURZ-UHFFFAOYSA-N |