3-methyl-4-nitrobenzoic acid
Chemical Structure Depiction of
3-methyl-4-nitrobenzoic acid
3-methyl-4-nitrobenzoic acid
Compound characteristics
| Compound ID: | R094-0011 |
| Compound Name: | 3-methyl-4-nitrobenzoic acid |
| Molecular Weight: | 181.14 |
| Molecular Formula: | C8 H7 N O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4312 |
| logD: | -0.9195 |
| logSw: | -2.3847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.727 |
| InChI Key: | XDTTUTIFWDAMIX-UHFFFAOYSA-N |