≥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.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3)C |
|---|---|
| InChIKey | SQEOPRRAMPXMMO-UHFFFAOYSA-N |
| INCHI | 1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(8-11)9-17(5)13(12)18/h6-8H,9H2,1-5H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3)C |
| PubChem CID | 57691224 |
| Molecular Weight | 273.14 |
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 | Isoindoles Benzenoids Tertiary carboxylic acid amides Dioxaborolanes Boronic acid esters Tertiary amines Lactams Amino acids and derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Isoindole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Tertiary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Carboxamide group - Tertiary amine - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic metalloid moeity - 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 | 273.140 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 273.154 Da |
| Monoisotopic Mass | 273.154 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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 |
