≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2-8°C에서 보관 Ships 젖은 얼음 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.
| Pubchem Sid | 528760142 |
|---|---|
| 정식 스마일 | C1CC(=O)CCC1C#N |
| IUPAC Name | 4-oxocyclohexane-1-carbonitrile |
| InChIKey | QIWQJGMBIABGRX-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2 |
| 이성체 SMILES | C1CC(=O)CCC1C#N |
| 분자량 | 123.15 |
| Reaxy-Rn | 2077814 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2077814&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Nitriles Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 B2506500 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| B2506501 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| B2517346 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| B2517347 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| B2517350 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| B2517351 | Certificate of Analysis | Aug 31, 2024 | O192905 |
| 분자량 | 123.150 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 123.068 Da |
| Monoisotopic Mass | 123.068 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
