≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | C1C=CC2C1C(=O)N2 |
|---|---|
| IUPAC Name | 6-azabicyclo[3.2.0]hept-3-en-7-one |
| InChIKey | HGDDVGDYVZZSGO-UHFFFAOYSA-N |
| INCHI | 1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8) |
| Isómeros SMILES | C1C=CC2C1C(=O)N2 |
| CAS alternativo | 63838-48-2 |
| PubChem CID | 6454737 |
| Términos de entrada MeSH | 2-ABHEO;2-azabicyclo(2.2.1)hept-5-en-3-one;6-azabicyclo(3.2.0)hept-3-en-7-one |
| Peso molecular | 109.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepines |
| Alternative Parents | Beta lactams Secondary carboxylic acid amides Azetidines Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Azepine - Beta-lactam - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 109.130 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 109.053 Da |
| Monoisotopic Mass | 109.053 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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