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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC=C1CC2C(=O)NC(=O)N2)O |
|---|---|
| IUPAC Name | 5-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione |
| InChIKey | GLLIXWMNULCIKR-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N2O3/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15) |
| Isómeros SMILES | C1=CC(=CC=C1CC2C(=O)NC(=O)N2)O |
| CAS alternativo | 58942-04-4,67337-72-8 |
| PubChem CID | 243294 |
| Número NSC | 52761 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - 1-hydroxy-2-unsubstituted benzenoid - N-acyl urea - Phenol - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Peso molecular | 206.200 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.069 Da |
| Monoisotopic Mass | 206.069 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |