3-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)prop-2-enoic acid
3-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | 5490-0081 |
| Compound Name: | 3-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)prop-2-enoic acid |
| Molecular Weight: | 230.22 |
| Molecular Formula: | C13 H10 O4 |
| Smiles: | Cc1ccc2c(c1)C(C(/C=C/C(O)=O)=CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1556 |
| logD: | -2.4582 |
| logSw: | -2.559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.515 |
| InChI Key: | RCUXFUGWNOGPQG-UHFFFAOYSA-N |