4,5-Dimethoxy-2-nitrobenzoic acid
4,5-dimethoxy-2-nitrobenzoic acid
CAS: 4998-07-6
| Molecular Formula | C9H9NO6 |
|---|---|
| Molecular Weight | 227.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 102.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04298 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4998-07-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC |
| InChIKey | WWCMFGBGMJAJRX-UHFFFAOYSA-N |
📖 Product Overview
4,5-Dimethoxy-2-nitrobenzoic acid (CAS: 4998-07-6) is a chemical compound with molecular formula C9H9NO6 and molecular weight 227.17 g/mol. Its IUPAC systematic name is 4,5-dimethoxy-2-nitrobenzoic acid.
WWCMFGBGMJAJRX-UHFFFAOYSA-N.
SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC.
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.
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