methyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Chemical Structure Depiction of
methyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
methyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Compound characteristics
| Compound ID: | 0482-0011 |
| Compound Name: | methyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate |
| Molecular Weight: | 311.25 |
| Molecular Formula: | C16 H9 N O6 |
| Smiles: | COC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6993 |
| logD: | 3.6993 |
| logSw: | -4.4188 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.134 |
| InChI Key: | VPJKUUMZIGTZRL-UHFFFAOYSA-N |