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=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O1 |
|---|---|
| IUPAC Name | 2-amino-7-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4H-pyrano[3,2-c]pyran-3-carbonitrile |
| InChIKey | NJMCXBYSCXLLOO-UHFFFAOYSA-N |
| INCHI | 1S/C23H18N2O4/c1-14-11-19-21(23(26)28-14)20(18(12-24)22(25)29-19)16-7-9-17(10-8-16)27-13-15-5-3-2-4-6-15/h2-11,20H,13,25H2,1H3 |
| Isomeric SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O1 |
| PubChem CID | 3262784 |
| Molecular Weight | 386.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Lactones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 386.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 386.127 Da |
| Monoisotopic Mass | 386.127 Da |
| Topological Polar Surface Area | 94.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 802.000 |
| 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 |
![2-amino-4-[4-(benzyloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile , CAS No.300703-74-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)