| Canonical Smiles | CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O |
|---|---|
| IUPAC Name | 2-(3-oxobutyl)isoindole-1,3-dione |
| InChIKey | ONTXCMXICQNNNO-UHFFFAOYSA-N |
| INCHI | 1S/C12H11NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3 |
| Isomeric SMILES | CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O |
| PubChem CID | 290728 |
| Molecular Weight | 217.22 |
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 | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles N-substituted carboxylic acid imides Benzenoids Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Ketone - Carboxylic acid derivative - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2630539 | Certificate of Analysis | Dec 31, 2025 | I697174 |
| C2630542 | Certificate of Analysis | Dec 31, 2025 | I697174 |
| C2630553 | Certificate of Analysis | Dec 31, 2025 | I697174 |
| C2630590 | Certificate of Analysis | Dec 31, 2025 | I697174 |
| Molecular Weight | 217.220 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 217.074 Da |
| Monoisotopic Mass | 217.074 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| 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 |
