Determine the necessary mass, volume, or concentration for preparing a solution.
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
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| Sonrisas canónicas | COCCC(=O)CC#N |
|---|---|
| IUPAC Name | 5-methoxy-3-oxopentanenitrile |
| InChIKey | TVARHUSTHBTMJB-UHFFFAOYSA-N |
| INCHI | 1S/C6H9NO2/c1-9-5-3-6(8)2-4-7/h2-3,5H2,1H3 |
| Isómeros SMILES | COCCC(=O)CC#N |
| PubChem CID | 13861119 |
| Peso molecular | 127.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Nitriles Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | Not available |
| Peso molecular | 127.140 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 127.063 Da |
| Monoisotopic Mass | 127.063 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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 |