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| IUPAC Name: | 3-methyl-4-nitrobenzoic acid |
| Description: | 3-Methyl-4-nitrobenzoic acid (CAS# 3113-71-1) is used as a reagent in the synthesis of influenza neuraminidase inhibitors with pyrrolidinobenzoic acid scaffold containing lipophilic side chains. |
| Molecular Weight: | 181.15 |
| Molecular Formula: | C8H7NO4 |
| Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChI: | InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChI Key: | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
| Boiling Point: | 356 °C |
| Melting Point: | 216-218 °C |
| Purity: | 95 % |
| Density: | 1.392 g/cm3 |
| Solubility: | less than 1 mg/mL at 72 °F |
| Appearance: | Yellowish to yellow crystalline powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00007168 |
| LogP: | 2.12460 |
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Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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