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5，6-Dimethoxyisoindole - ≥95% , CAS No.114041-16-6
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | COC1=C(C=C2CNCC2=C1)OC |
|---|---|
| IUPAC Name | 5,6-dimethoxy-2,3-dihydro-1H-isoindole |
| InChIKey | WMIINIMCTOCKNL-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO2/c1-12-9-3-7-5-11-6-8(7)4-10(9)13-2/h3-4,11H,5-6H2,1-2H3 |
| Isómeros SMILES | COC1=C(C=C2CNCC2=C1)OC |
| CAS alternativo | 114041-16-6 |
| PubChem CID | 20074351 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Isoindoles and derivatives
- Subclass Isoindoles
- Clase Isoindoles and derivatives
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindoles |
| Alternative Parents | Isoindolines Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindoline - Isoindole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 179.220 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.095 Da |
| Monoisotopic Mass | 179.095 Da |
| Topological Polar Surface Area | 30.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| 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 |
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