3-(7-butoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(7-butoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
3-(7-butoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y040-3897 |
| Compound Name: | 3-(7-butoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C18 H22 O5 |
| Smiles: | CCCCOc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 3.8924 |
| logD: | 1.3962 |
| logSw: | -3.9649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.733 |
| InChI Key: | CKWSWUQRTABELI-UHFFFAOYSA-N |