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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 0.8 |
|---|
| Canonical Smiles | CCC1(C(=O)N(C(=O)O1)C)C |
|---|---|
| IUPAC Name | 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione |
| InChIKey | VQASKUSHBVDKGU-UHFFFAOYSA-N |
| INCHI | 1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3 |
| Isomeric SMILES | CCC1(C(=O)N(C(=O)O1)C)C |
| PubChem CID | 8280 |
| Molecular Weight | 157.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Oxazolidinones |
| Direct Parent | Oxazolidinediones |
| Alternative Parents | Dicarboximides Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxazolidinedione - Dicarboximide - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidinediones. These are compounds containing an oxazolidine ring which bears two ketones. |
| External Descriptors | oxazolidinone |
| Molecular Weight | 157.170 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.074 Da |
| Monoisotopic Mass | 157.074 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| 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 |
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