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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.
| Sonrisas canónicas | COP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OC |
|---|---|
| IUPAC Name | 2-(dimethoxyphosphorylmethyl)isoindole-1,3-dione |
| InChIKey | WDBHXTMUHJGHAN-UHFFFAOYSA-N |
| INCHI | 1S/C11H12NO5P/c1-16-18(15,17-2)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 |
| Isómeros SMILES | COP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OC |
| Peso molecular | 269.196 |
| Reaxy-Rn | 1476370 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1476370&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles Dialkyl alkylphosphonates Phosphonic acid esters N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Phosphonic acid diester - Dialkyl alkylphosphonate - Carboxylic acid imide, n-substituted - Phosphonic acid ester - Benzenoid - Carboxylic acid imide - Organophosphonic acid derivative - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Punto de fusión (°C) | 115-120°C |
|---|---|
| Peso molecular | 269.190 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 269.045 Da |
| Monoisotopic Mass | 269.045 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 |