≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)O |
|---|---|
| IUPAC Name | 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid |
| InChIKey | QFQFDOUGEWNQKE-UHFFFAOYSA-N |
| INCHI | 1S/C25H17NO4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)26(23)14-11-9-13(10-12-14)25(29)30/h1-12,19-22H,(H,29,30) |
| Isómeros SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)O |
| PubChem CID | 601372 |
| Peso molecular | 395.41 |
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 | Lignans, neolignans and related compounds |
| Clase | Aryltetralin lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryltetralin lignans |
| Alternative Parents | Anthracenes Acylaminobenzoic acid and derivatives Phenylpyrrolidines Tetralins Isoindolones Benzoic acids Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-aryltetralin lignan - Anthracene - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Tetralin - Isoindolone - Benzoic acid or derivatives - Benzoic acid - Isoindoline - Isoindole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. |
| External Descriptors | Not available |
| Peso molecular | 395.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 395.116 Da |
| Monoisotopic Mass | 395.116 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
