4,4,4-trinitrobutanoic acid
Chemical Structure Depiction of
4,4,4-trinitrobutanoic acid
4,4,4-trinitrobutanoic acid
Compound characteristics
| Compound ID: | 0781-2870 |
| Compound Name: | 4,4,4-trinitrobutanoic acid |
| Molecular Weight: | 223.09 |
| Molecular Formula: | C4 H5 N3 O8 |
| Smiles: | C(CC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.5124 |
| logD: | -3.6705 |
| logSw: | -0.3779 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.234 |
| InChI Key: | ALYGFHXDFBTXMD-UHFFFAOYSA-N |