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| IUPAC Name: | 5-nitrothiophene-2-carboxylic acid |
| Description: | 5-Nitrothiophene-2-carboxylic acid (CAS# 6317-37-9) is a reagent used in the preparation of benzothiophene amides which fuctions as nicotinamide ribosyltransferase inhibitors with potential antitumor and anticancer activities. It also functions as an intermediate in varying organic transformations. |
| Molecular Weight: | 173.15 |
| Molecular Formula: | C5H3NO4S |
| Canonical SMILES: | C1=C(SC(=C1)[N+](=O)[O-])C(=O)O |
| InChI: | InChI=1S/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8) |
| InChI Key: | UNEPVPOHGXLUIR-UHFFFAOYSA-N |
| Boiling Point: | 367.2 °C at 760 mmHg |
| Melting Point: | 156-159 (Lit.) °C |
| Purity: | 95 % |
| Density: | 1.676 g/cm3 |
| Appearance: | Pale yellow solid |
| MDL: | MFCD00159552 |
| LogP: | 1.87770 |
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