≥97% 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.
| Canonical Smiles | COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)N2CCOCC2 |
|---|---|
| IUPAC Name | methyl 4-(4-morpholin-4-ylphenyl)-2,4-dioxobutanoate |
| InChIKey | HSJQSLULWYHTPE-UHFFFAOYSA-N |
| INCHI | 1S/C15H17NO5/c1-20-15(19)14(18)10-13(17)11-2-4-12(5-3-11)16-6-8-21-9-7-16/h2-5H,6-10H2,1H3 |
| Isomeric SMILES | COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)N2CCOCC2 |
| PubChem CID | 45791825 |
| Molecular Weight | 291.29 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylmorpholines Butyrophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Dialkylarylamines Beta-diketones Fatty acid esters Alpha-keto acids and derivatives Methyl esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylmorpholine - Butyrophenone - Benzoyl - Gamma-keto acid - Aniline or substituted anilines - Aryl alkyl ketone - Dialkylarylamine - Fatty acid ester - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Morpholine - Oxazinane - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Methyl ester - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Oxacycle - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 291.300 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 291.111 Da |
| Monoisotopic Mass | 291.111 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| 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 |
![Methyl 4-[4-(morpholin-4-yl)phenyl]-2,4-dioxobutanoate - ≥97% , CAS No.1181537-45-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)