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 | CCCC(=O)OC(OC(=O)CCC)OC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)O)C)C |
|---|---|
| IUPAC Name | 5-[di(butanoyloxy)methoxycarbonyl]-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid |
| InChIKey | MJLGXTKOWRZXIB-UHFFFAOYSA-N |
| INCHI | 1S/C24H27Cl2NO8/c1-5-8-16(28)33-24(34-17(29)9-6-2)35-23(32)19-13(4)27-12(3)18(22(30)31)20(19)14-10-7-11-15(25)21(14)26/h7,10-11,20,24,27H,5-6,8-9H2,1-4H3,(H,30,31) |
| Peso molecular | 528.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Dihydropyridinecarboxylic acids and derivatives Dichlorobenzenes Carboxylic acid orthoesters Fatty acid esters Aryl chlorides Enoate esters Vinylogous amides Amino acids Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Dihydropyridinecarboxylic acid derivative - 1,2-dichlorobenzene - Halobenzene - Fatty acid ester - Carboxylic acid orthoester - Dihydropyridine - Chlorobenzene - Aryl chloride - Aryl halide - Hydropyridine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Orthocarboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Enamine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
| Peso molecular | 528.400 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 527.111 Da |
| Monoisotopic Mass | 527.111 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 880.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
