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| IUPAC Name: | 2,6-dinitrobenzoic acid |
| Description: | 2,6-Dinitrobenzoic Acid (CAS# 603-12-3) is a urinary metabolite of nitrotoluenes. |
| Molecular Weight: | 212.12 |
| Molecular Formula: | C7H4N2O6 |
| Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
| InChI: | InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11) |
| InChI Key: | HKKWSIQQYJTJLW-UHFFFAOYSA-N |
| Boiling Point: | 395.5 °C at 760 mmHg |
| Density: | 1.688 g/cm3 |
| LogP: | 2.24760 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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