| Pubchem Sid | 488188237 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188237 |
| Sonrisas canónicas | CCOC(=O)C1COC2=CC=CC=C2O1 |
| IUPAC Name | ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate |
| InChIKey | DDIGEMWIKJMEIU-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3 |
| Isómeros SMILES | CCOC(=O)C1COC2=CC=CC=C2O1 |
| Peso molecular | 208.21 |
| Reaxy-Rn | 214459 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=214459&ln= |
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 | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Alkyl aryl ethers Para dioxins Benzenoids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 D2324462 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| D2324469 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| D2324471 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| D2324484 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| D2324496 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| D2324588 | Certificate of Analysis | Mar 13, 2023 | E156096 |
| Índice de refracción | 1.52 |
|---|---|
| Punto de ebullición (°C) | 115°C/0.2mmHg(lit.) |
| Peso molecular | 208.210 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 208.074 Da |
| Monoisotopic Mass | 208.074 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 |
