Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 3.8 |
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| Sonrisas canónicas | CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)C(=O)OC |
|---|---|
| IUPAC Name | 4-[5-(3-methoxycarbonyl-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridin-4-yl)furan-2-yl]benzoic acid |
| InChIKey | QKEXVHYWWUXESV-UHFFFAOYSA-N |
| INCHI | 1S/C26H19NO6/c1-13-20(26(31)32-2)21(22-23(27-13)16-5-3-4-6-17(16)24(22)28)19-12-11-18(33-19)14-7-9-15(10-8-14)25(29)30/h3-12,21,27H,1-2H3,(H,29,30) |
| Isómeros SMILES | CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)C(=O)OC |
| Peso molecular | 441.43 |
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 | Benzenoids |
| Clase | Indenes and isoindenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indenes and isoindenes |
| Alternative Parents | Benzoic acids Aryl ketones Benzoyl derivatives Dihydropyridines Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Furans Enoate esters Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Enamines Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indene - Benzoic acid or derivatives - Benzoic acid - Aryl ketone - Benzoyl - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Furan - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Amino acid - Ketone - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Secondary amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). |
| External Descriptors | Not available |
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| Peso molecular | 441.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 441.121 Da |
| Monoisotopic Mass | 441.121 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 912.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →