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| IUPAC Name: | 2-methyl-3-nitrobenzoic acid |
| Description: | 2-Methyl-3-nitrobenzoic acid (CAS# 1975-50-4) is a building block used for the synthesis of various compounds. It is an intermediate for the synthesis of 4-(Piperazin-1-ylmethyl)-N1-arylsulfonyl indole derivatives as 5-HT6 receptor ligands. |
| Molecular Weight: | 181.15 |
| Molecular Formula: | C8H7NO4 |
| Canonical SMILES: | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O |
| InChI: | InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChI Key: | YPQAFWHSMWWPLX-UHFFFAOYSA-N |
| Boiling Point: | 337.1 °C at 760 mmHg |
| Melting Point: | 182-186 °C |
| Purity: | 95 % |
| Density: | 1.392 g/cm3 |
| Solubility: | less than 1 mg/mL at 72 °F |
| Appearance: | White to slightly yellow crystalline powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00007160 |
| LogP: | 2.12460 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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