2-methoxy-4-(2-nitroethenyl)phenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-methoxy-4-(2-nitroethenyl)phenyl 2-oxo-2H-1-benzopyran-3-carboxylate
2-methoxy-4-(2-nitroethenyl)phenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3297-0810 |
| Compound Name: | 2-methoxy-4-(2-nitroethenyl)phenyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 367.31 |
| Molecular Formula: | C19 H13 N O7 |
| Smiles: | COc1cc(/C=C/[N+]([O-])=O)ccc1OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3537 |
| logD: | 3.3537 |
| logSw: | -3.7771 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.514 |
| InChI Key: | AIAOTAFSXSSCRY-UHFFFAOYSA-N |