≥97% 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 | 0.4 |
|---|
| Canonical Smiles | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C(=CC=C3)O |
|---|---|
| InChIKey | ZHINEOZMGPJDNM-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N2O4/c16-9-3-1-2-7-6-15(13(19)11(7)9)8-4-5-10(17)14-12(8)18/h1-3,8,16H,4-6H2,(H,14,17,18) |
| Isomeric SMILES | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C(=CC=C3)O |
| PubChem CID | 71517904 |
| Molecular Weight | 260.24 |
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 | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Isoindolone - Isoindole - Piperidinedione - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Delta-lactam - Phenol - Piperidinone - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Vinylogous acid - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 260.240 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 260.08 Da |
| Monoisotopic Mass | 260.08 Da |
| Topological Polar Surface Area | 86.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| 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 |
