Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% 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.
| Canonical Smiles | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O)OC)NC(=O)C5=CC6=CC=CC=C6C=C5O |
|---|---|
| IUPAC Name | 3-hydroxy-N-[4-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]naphthalene-2-carboxamide |
| InChIKey | AXUHYNGMYQMRRI-UHFFFAOYSA-N |
| INCHI | 1S/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42) |
| Molecular Weight | 584.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Naphthalenecarboxamides |
| Direct Parent | Naphthalene-2-carboxanilides |
| Alternative Parents | Aromatic anilides Biphenyls and derivatives Naphthols and derivatives Salicylic acid and derivatives Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene-2-carboxanilide - Aromatic anilide - Biphenyl - 2-naphthol - Salicylic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline. |
| External Descriptors | Not available |
| Molecular Weight | 584.600 g/mol |
|---|---|
| XLogP3 | 8.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 584.195 Da |
| Monoisotopic Mass | 584.195 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 902.000 |
| 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 |