≥98% 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 | 488191319 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191319 |
| Canonical Smiles | CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C#N |
| IUPAC Name | 4-oxo-6-propan-2-ylchromene-3-carbonitrile |
| InChIKey | IMVAJLIIWCJMJP-UHFFFAOYSA-N |
| INCHI | 1S/C13H11NO2/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-5,7-8H,1-2H3 |
| Isomeric SMILES | CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C#N |
| Molecular Weight | 213.24 |
| Reaxy-Rn | 1111234 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1111234&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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one 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 | Date | Item |
|---|---|---|---|
 C2309642 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310345 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310349 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310392 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310455 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310472 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| C2310569 | Certificate of Analysis | Dec 17, 2022 | I157563 |
| Melt Point(°C) | 119 °C |
|---|---|
| Molecular Weight | 213.230 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 213.079 Da |
| Monoisotopic Mass | 213.079 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 375.000 |
| 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 |
