propan-2-yl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-oxo-2H-1-benzopyran-3-carboxylate
propan-2-yl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3772-5804 |
| Compound Name: | propan-2-yl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CC(C)OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5058 |
| logD: | 2.5058 |
| logSw: | -2.6142 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.593 |
| InChI Key: | QPPAJPWUSODCEM-UHFFFAOYSA-N |