2,6-Dimethyl-3-nitrobenzoic acid
2,6-dimethyl-3-nitrobenzoic acid
Also Known As: 2,6-dimethyl-3-nitrobenzoic acid|Benzoic acid, 2,6-dimethyl-3-nitro-|2,6-Dimethyl-3-nitro-benzoic acid|2,6-dimethyl-3-nitrobenzoicacid|3-nitro-2,6-dimethylbenzoic acid|2,6-Diemthyl-3-nitro-benzoesaeure|AE-562/43286950|817-709-3
CAS: 6970-48-5
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05316 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05316 |
| Monoisotopic Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 6970-48-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)C(=O)O |
| InChIKey | GOGALNMBJIGJNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (5 patents)
Heterocyclic Building Blocks (90 patents)
Organic Building Blocks (26 patents)
Pharmaceutical Intermediates (48 patents)
Product Overview
2,6-Dimethyl-3-nitrobenzoic acid (CAS 6970-48-5), with molecular formula C9H9NO4 and molecular weight 195.05316 g/mol. IUPAC: 2,6-dimethyl-3-nitrobenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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