methyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
methyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y040-7383 |
| Compound Name: | methyl {[4-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C18 H13 N O7 |
| Smiles: | COC(COc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3032 |
| logD: | 2.3032 |
| logSw: | -3.0082 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.834 |
| InChI Key: | XQGYZAXDYGLKFO-UHFFFAOYSA-N |