≥90% 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 | CCOC(=O)C1CNC2=C(O1)C=CC(=C2)S(=O)(=O)CC |
|---|---|
| IUPAC Name | ethyl 6-ethylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| InChIKey | JDDJVVMBZGZBEZ-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO5S/c1-3-18-13(15)12-8-14-10-7-9(20(16,17)4-2)5-6-11(10)19-12/h5-7,12,14H,3-4,8H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1CNC2=C(O1)C=CC(=C2)S(=O)(=O)CC |
| PubChem CID | 4358874 |
| Molecular Weight | 299.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Sulfones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Oxazinane - Sulfonyl - Sulfone - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Molecular Weight | 299.340 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 299.083 Da |
| Monoisotopic Mass | 299.083 Da |
| Topological Polar Surface Area | 90.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 444.000 |
| 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 |
