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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 | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(O3)C=O |
|---|---|
| IUPAC Name | 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbaldehyde |
| InChIKey | ZRBXPAHJXKKXME-UHFFFAOYSA-N |
| INCHI | 1S/C14H9NO4/c16-8-10-6-5-9(19-10)7-15-13(17)11-3-1-2-4-12(11)14(15)18/h1-6,8H,7H2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(O3)C=O |
| PubChem CID | 273878 |
| Molecular Weight | 255.22 |
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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 Aryl-aldehydes N-substituted carboxylic acid imides Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Aryl-aldehyde - Benzenoid - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Furan - Carboxylic acid imide - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - 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 |
| Molecular Weight | 255.220 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 255.053 Da |
| Monoisotopic Mass | 255.053 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |