≥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 | CCOC(=O)C1=C(OCC1=O)NC2=CC=CC=C2 |
|---|---|
| IUPAC Name | ethyl 2-anilino-4-oxofuran-3-carboxylate |
| InChIKey | ODJBFSHHCNDWOS-UHFFFAOYSA-N |
| INCHI | 1S/C13H13NO4/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3 |
| Isómeros SMILES | CCOC(=O)C1=C(OCC1=O)NC2=CC=CC=C2 |
| PubChem CID | 698491 |
| Peso molecular | 247.25 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Secondary alkylarylamines Furanones Vinylogous esters Vinylogous amides Enoate esters Ketene acetals Cyclic ketones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Secondary aliphatic/aromatic amine - 3-furanone - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Cyclic ketone - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Punto de fusión (°C) | 118-120° |
|---|---|
| Peso molecular | 247.250 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 247.084 Da |
| Monoisotopic Mass | 247.084 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| 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 |
