4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methyl-3-nitrobenzoate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methyl-3-nitrobenzoate
4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0878-7138 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methyl-3-nitrobenzoate |
| Molecular Weight: | 339.3 |
| Molecular Formula: | C18 H13 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(c1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4881 |
| logD: | 3.4881 |
| logSw: | -4.0219 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.104 |
| InChI Key: | GKIPTHWKIYTKII-UHFFFAOYSA-N |