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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C1=C(SC(=C1)C)N2C(=O)C3C4CC(C3C2=O)C=C4 |
|---|---|
| IUPAC Name | ethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-5-methylthiophene-3-carboxylate |
| InChIKey | OYDZKIGZTJETQI-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO4S/c1-3-22-17(21)11-6-8(2)23-16(11)18-14(19)12-9-4-5-10(7-9)13(12)15(18)20/h4-6,9-10,12-13H,3,7H2,1-2H3 |
| Peso molecular | 331.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Thiophene - Heteroaromatic compound - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Peso molecular | 331.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 331.088 Da |
| Monoisotopic Mass | 331.088 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
