≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.
| Canonical Smiles | CC1=CC(=C(C#N)C#N)C=C(O1)C(C)(C)C |
|---|---|
| IUPAC Name | 2-(2-tert-butyl-6-methylpyran-4-ylidene)propanedinitrile |
| InChIKey | RERXDQVCKDLENH-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O/c1-9-5-10(11(7-14)8-15)6-12(16-9)13(2,3)4/h5-6H,1-4H3 |
| Isomeric SMILES | CC1=CC(=C(C#N)C#N)C=C(O1)C(C)(C)C |
| Alternate CAS | 225378-53-0 |
| PubChem CID | 15374739 |
| Molecular Weight | 214.26 |
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 | Organoheterocyclic compounds |
| Class | Pyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrans |
| Alternative Parents | Oxacyclic compounds Nitriles Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyran - Oxacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. |
| External Descriptors | Not available |
| Molecular Weight | 214.260 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.111 Da |
| Monoisotopic Mass | 214.111 Da |
| Topological Polar Surface Area | 56.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 477.000 |
| 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 |
