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| IUPAC Name: | 5-nitrobenzene-1,3-dicarboxylic acid |
| Description: | An impurity of Glycopyrrolate, which is an anticholinergic agent with antispasmodic activity used to treat gastrointestinal conditions associated. |
| Molecular Weight: | 211.13 |
| Molecular Formula: | C8H5NO6 |
| Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O |
| InChI: | InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
| InChI Key: | NBDAHKQJXVLAID-UHFFFAOYSA-N |
| Boiling Point: | 473.7±40.0°C at 760 mmHg |
| Melting Point: | 261-263 ℃ |
| Purity: | ≥95% |
| Density: | 1.634 g/cm3 (Predicted) |
| Solubility: | Soluble in Acetonitrile (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-white Solid |
| Storage: | Store at RT |
| MDL: | MFCD00007254 |
| LogP: | 1.51440 |
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1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
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