4-hydroxy-3,6-dinitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-hydroxy-3,6-dinitro-2H-1-benzopyran-2-one
4-hydroxy-3,6-dinitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0157-0004 |
| Compound Name: | 4-hydroxy-3,6-dinitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 252.14 |
| Molecular Formula: | C9 H4 N2 O7 |
| Smiles: | c1cc2c(cc1[N+]([O-])=O)C(=C(C(=O)O2)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.0309 |
| logD: | -6.0322 |
| logSw: | -2.3065 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.912 |
| InChI Key: | CEVVPXAFAUWIMW-UHFFFAOYSA-N |