4-nitrophenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-nitrophenyl 2-oxo-2H-1-benzopyran-3-carboxylate
4-nitrophenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3772-6417 |
| Compound Name: | 4-nitrophenyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 311.25 |
| Molecular Formula: | C16 H9 N O6 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc2)[N+]([O-])=O)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0458 |
| logD: | 3.0458 |
| logSw: | -3.6264 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.919 |
| InChI Key: | WIMGBVCHPRDPPX-UHFFFAOYSA-N |