≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1(OC(=O)C(=CNC2=CC=CC=C2C#N)C(=O)O1)C |
|---|---|
| IUPAC Name | 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzonitrile |
| InChIKey | AMNDDWQGIGDDGU-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N2O4/c1-14(2)19-12(17)10(13(18)20-14)8-16-11-6-4-3-5-9(11)7-15/h3-6,8,16H,1-2H3 |
| Isómeros SMILES | CC1(OC(=O)C(=CNC2=CC=CC=C2C#N)C(=O)O1)C |
| PubChem CID | 5230085 |
| Peso molecular | 272.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Ketals 1,3-dioxanes Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Lactones Amino acids and derivatives Secondary amines Oxacyclic compounds Allylamines Nitriles Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzonitrile - Aniline or substituted anilines - Ketal - Meta-dioxane - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Enamine - Allylamine - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Organoheterocyclic compound - Amine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Peso molecular | 272.260 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 272.08 Da |
| Monoisotopic Mass | 272.08 Da |
| Topological Polar Surface Area | 88.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
