≥93% 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.
| Pubchem Sid | 488186791 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186791 |
| Sonrisas canónicas | COC(CC#N)OC |
| IUPAC Name | 3,3-dimethoxypropanenitrile |
| InChIKey | JYHSJQNYYLGMEI-UHFFFAOYSA-N |
| INCHI | 1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3 |
| Isómeros SMILES | COC(CC#N)OC |
| Peso molecular | 115.13 |
| Beilstein | 3(4)1521 |
| Reaxy-Rn | 1745686 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745686&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 |
| Clase | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetals |
| Alternative Parents | Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 F2229331 | Certificate of Analysis | Apr 03, 2026 | D154668 |
| F2229333 | Certificate of Analysis | Apr 03, 2026 | D154668 |
| F2229336 | Certificate of Analysis | Apr 03, 2026 | D154668 |
| C2512733 | Certificate of Analysis | Mar 01, 2025 | D154668 |
| C2512734 | Certificate of Analysis | Mar 01, 2025 | D154668 |
| Punto de inflamación (°F) | 83°C(lit.) |
|---|---|
| Punto de ebullición (°C) | 195°C |
| Peso molecular | 115.130 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 115.063 Da |
| Monoisotopic Mass | 115.063 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 89.800 |
| 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 |
