2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
Chemical Structure Depiction of
2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
Compound characteristics
| Compound ID: | 4182-0101 |
| Compound Name: | 2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid |
| Molecular Weight: | 290.31 |
| Molecular Formula: | C16 H18 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(C)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0619 |
| logD: | -0.9374 |
| logSw: | -3.2146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.843 |
| InChI Key: | PFSYWBCTACXLCS-JTQLQIEISA-N |