4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8004-9428 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate |
| Molecular Weight: | 325.28 |
| Molecular Formula: | C17 H11 N O6 |
| Smiles: | CC1=CC(=O)Oc2ccc(cc12)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0206 |
| logD: | 3.0206 |
| logSw: | -3.5745 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.405 |
| InChI Key: | DPBCGKNXCLQEGR-UHFFFAOYSA-N |