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| IUPAC Name: | 3-cyanobenzoic acid |
| Description: | 3-Cyanobenzoic acid (CAS# 1877-72-1) is a building block used for the synthesis of a variety of 3,5-disubstituted 1,2,4-oxadiazoles from carboxylic acids, that can be used for the synthesis of a metabotropic glutamate subtype 5 (mGlu5) receptor antagonist. |
| Molecular Weight: | 147.13 |
| Molecular Formula: | C8H5NO2 |
| Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C#N |
| InChI: | InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
| InChI Key: | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Boiling Point: | 324.7 °C at 760 mmHg |
| Purity: | 98 % |
| Density: | 1.32 g/cm3 |
| Appearance: | White powder |
| MDL: | MFCD00002486 |
| LogP: | 1.25648 |
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Carbonyl Compounds
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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