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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)CC#N)O)O |
|---|---|
| IUPAC Name | 2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide |
| InChIKey | YKRGBAKFZFYMQF-UHFFFAOYSA-N |
| INCHI | 1S/C12H9N3O3S/c13-4-3-11(18)15-12-14-8(6-19-12)7-1-2-9(16)10(17)5-7/h1-2,5-6,16-17H,3H2,(H,14,15,18) |
| Peso molecular | 275.29 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Catechols |
| Alternative Parents | N-arylamides 2,4-disubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Catechol - N-arylamide - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety. |
| External Descriptors | Not available |
| Peso molecular | 275.290 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.036 Da |
| Monoisotopic Mass | 275.036 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |