≥95% 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 | CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=C(C=C2)C |
|---|---|
| IUPAC Name | ethyl (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoate |
| InChIKey | BEAQNRVFELEUHY-MDZDMXLPSA-N |
| INCHI | 1S/C18H19NO3/c1-4-22-17(20)10-9-16-11-15(12-19(16)3)18(21)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3/b10-9+ |
| Isómeros SMILES | CCOC(=O)/C=C/C1=CC(=CN1C)C(=O)C2=CC=C(C=C2)C |
| PubChem CID | 11748500 |
| Peso molecular | 297.36 |
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 | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Benzoyl derivatives Toluenes Fatty acid esters N-methylpyrroles Vinylogous amides Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Benzoyl - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - N-methylpyrrole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 94-96° |
|---|---|
| Peso molecular | 297.300 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.136 Da |
| Monoisotopic Mass | 297.136 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 424.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
