4-methoxyphenyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-methoxyphenyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
4-methoxyphenyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8007-1948 |
| Compound Name: | 4-methoxyphenyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 341.27 |
| Molecular Formula: | C17 H11 N O7 |
| Smiles: | COc1ccc(cc1)OC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0676 |
| logD: | 3.0676 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.463 |
| InChI Key: | NFRMKACRNCNUOG-UHFFFAOYSA-N |