2-{[3-(2-carboxyethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
Chemical Structure Depiction of
2-{[3-(2-carboxyethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
2-{[3-(2-carboxyethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
Compound characteristics
| Compound ID: | D715-1128 |
| Compound Name: | 2-{[3-(2-carboxyethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid |
| Molecular Weight: | 320.3 |
| Molecular Formula: | C16 H16 O7 |
| Smiles: | CC(C(O)=O)Oc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5566 |
| logD: | -2.4428 |
| logSw: | -2.2858 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.741 |
| InChI Key: | DDNOAPDXGFXDJH-VIFPVBQESA-N |