4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid
Chemical Structure Depiction of
4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid
4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid
Compound characteristics
| Compound ID: | R052-2033 |
| Compound Name: | 4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxylic acid |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C17 H12 O4 |
| Smiles: | Cc1ccc(cc1)C1=C(C(O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8201 |
| logD: | -0.5933 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.376 |
| InChI Key: | JCLJXTFQIGXMRB-UHFFFAOYSA-N |