(7-butoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
Chemical Structure Depiction of
(7-butoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
(7-butoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
Compound characteristics
| Compound ID: | D715-0331 |
| Compound Name: | (7-butoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid |
| Molecular Weight: | 290.31 |
| Molecular Formula: | C16 H18 O5 |
| Smiles: | CCCCOc1ccc2C(C)=C(CC(O)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0945 |
| logD: | -0.3642 |
| logSw: | -3.0953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.962 |
| InChI Key: | XFCIHEAOVJYHHY-UHFFFAOYSA-N |