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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1(OC(=O)C(=CNC2=CC(=C(C=C2)OC)OC)C(=O)O1)C |
|---|---|
| IUPAC Name | 5-[(3,4-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChIKey | YXEWFWMZNIEUON-UHFFFAOYSA-N |
| INCHI | 1S/C15H17NO6/c1-15(2)21-13(17)10(14(18)22-15)8-16-9-5-6-11(19-3)12(7-9)20-4/h5-8,16H,1-4H3 |
| Molecular Weight | 307.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Ketals 1,3-dioxanes Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Lactones Amino acids and derivatives Secondary amines Oxacyclic compounds Allylamines Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ketal - Meta-dioxane - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary amine - Allylamine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Enamine - Acetal - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
| Molecular Weight | 307.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 307.106 Da |
| Monoisotopic Mass | 307.106 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 451.000 |
| 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 |