| Sonrisas canónicas | CN1CC2=C(C1=O)C=CC(=C2)O |
|---|---|
| IUPAC Name | 5-hydroxy-2-methyl-3H-isoindol-1-one |
| InChIKey | IQMXSOJFRNHTRP-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO2/c1-10-5-6-4-7(11)2-3-8(6)9(10)12/h2-4,11H,5H2,1H3 |
| Isómeros SMILES | CN1CC2=C(C1=O)C=CC(=C2)O |
| PubChem CID | 13897381 |
| Peso molecular | 163.17 |
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 | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Isoindoles 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Isoindole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 163.170 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.063 Da |
| Monoisotopic Mass | 163.063 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
