2-{[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
Chemical Structure Depiction of
2-{[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
2-{[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid
Compound characteristics
| Compound ID: | D715-1127 |
| Compound Name: | 2-{[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl]oxy}propanoic acid |
| Molecular Weight: | 334.32 |
| Molecular Formula: | C17 H18 O7 |
| Smiles: | CC(C(O)=O)Oc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2868 |
| logD: | -1.7125 |
| logSw: | -2.8137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.512 |
| InChI Key: | TWYZQURYLMHLIG-JTQLQIEISA-N |