≥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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CC(=CC1=O)O |
|---|---|
| IUPAC Name | tert-butyl 3-hydroxy-5-oxo-2H-pyrrole-1-carboxylate |
| InChIKey | FUOLLMGMLYOWGP-UHFFFAOYSA-N |
| INCHI | 1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4,11H,5H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CC(=CC1=O)O |
| PubChem CID | 54682595 |
| Peso molecular | 199.206 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolines |
| Subclass | Pyrroline carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroline carboxylic acids |
| Alternative Parents | Vinylogous acids Dicarboximides Carbamate esters Enols Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrroline carboxylic acid - Dicarboximide - Carbamic acid ester - Vinylogous acid - Azacycle - Alkanolamine - Enol - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 199.200 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.084 Da |
| Monoisotopic Mass | 199.084 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |
