for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)OC4=CC=C(C=C4)C(=O)OC |
|---|---|
| IUPAC Name | methyl 4-[7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromen-3-yl]oxybenzoate |
| InChIKey | MCJLNQAFMBCOOS-UHFFFAOYSA-N |
| INCHI | 1S/C24H26N2O6/c1-15-22(32-17-6-4-16(5-7-17)24(29)30-3)21(28)18-8-9-20(27)19(23(18)31-15)14-26-12-10-25(2)11-13-26/h4-9,27H,10-14H2,1-3H3 |
| Peso molecular | 438.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Diarylethers Benzoic acid esters Benzoyl derivatives Phenol ethers Phenoxy compounds N-methylpiperazines Pyranones and derivatives Aralkylamines Phenoxides Methyl esters Heteroaromatic compounds Amino acids and derivatives Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Phenoxide - Pyranone - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyran - Piperazine - 1,4-diazinane - Methyl ester - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 438.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 438.179 Da |
| Monoisotopic Mass | 438.179 Da |
| Topological Polar Surface Area | 88.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 724.000 |
| 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-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate , CAS No.844852-48-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)