2-(3-nitrophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
2-(3-nitrophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 1171-0508 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 353.29 |
| Molecular Formula: | C18 H11 N O7 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8012 |
| logD: | 2.8012 |
| logSw: | -3.4359 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.646 |
| InChI Key: | DHNJJMVWVXFVMJ-UHFFFAOYSA-N |