≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC(C)(C)N1C(C2=C(C1=O)C=CC(=C2)OC)O |
|---|---|
| IUPAC Name | 2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one |
| InChIKey | WRNVOUMBZIWSLR-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO3/c1-13(2,3)14-11(15)9-6-5-8(17-4)7-10(9)12(14)16/h5-7,12,16H,1-4H3 |
| Molecular Weight | 235.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Isoindoles Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Lactams Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Isoindole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Alkanolamine - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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 |
| Molecular Weight | 235.280 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.121 Da |
| Monoisotopic Mass | 235.121 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| 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 |
