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N-(5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenecarboxamide , CAS No.691884-02-3
Disponible para pedir
Storage
Room temperature
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Why this grade
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
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | CC1=CC=C(C=C1)C(=O)NC2CC(=O)C3=CC(=C(C=C23)OC)OC |
|---|---|
| IUPAC Name | N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-4-methylbenzamide |
| InChIKey | BGAUGJLQHWTAOA-UHFFFAOYSA-N |
| INCHI | 1S/C19H19NO4/c1-11-4-6-12(7-5-11)19(22)20-15-10-16(21)14-9-18(24-3)17(23-2)8-13(14)15/h4-9,15H,10H2,1-3H3,(H,20,22) |
| Peso molecular | 325.400 |
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 Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanones |
| Alternative Parents | p-Toluamides Benzamides Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanone - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Anisole - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ketone - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group. |
| 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 | 325.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.131 Da |
| Monoisotopic Mass | 325.131 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
Calculadoras de soluciones
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