≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)O |
|---|---|
| IUPAC Name | (2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid |
| InChIKey | XEEMHUAVPICJLP-UFBFGSQYSA-N |
| INCHI | 1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12-/m0/s1 |
| Molecular Weight | 280.210 |
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 | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | 1-benzopyrans Alpha amino acids and derivatives 5-monosubstituted hydantoins Alkyl aryl ethers N-acyl ureas Aryl fluorides Benzenoids Dicarboximides Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - 5-monosubstituted hydantoin - Alkyl aryl ether - Ureide - N-acyl urea - Aryl fluoride - Aryl halide - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 280.210 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 280.05 Da |
| Monoisotopic Mass | 280.05 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
