≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
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.
| Sonrisas canónicas | CC1=C2C=C(C=CC2=C(C(=N1)C(=O)OC)O)OC3=CC=CC=C3 |
|---|---|
| IUPAC Name | methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate |
| InChIKey | WJGPMRFWBJZJOQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3 |
| Isómeros SMILES | CC1=C2C=C(C=CC2=C(C(=N1)C(=O)OC)O)OC3=CC=CC=C3 |
| PubChem CID | 71244895 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Isoquinolines and derivatives Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Methylpyridines Hydroxypyridines Vinylogous acids Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Methylpyridine - Hydroxypyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Peso molecular | 309.300 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 309.1 Da |
| Monoisotopic Mass | 309.1 Da |
| Topological Polar Surface Area | 68.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 410.000 |
| 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 |
