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 | CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC=C(O4)C)OC |
|---|---|
| IUPAC Name | 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one |
| InChIKey | BBYYBKZUNWZEDW-UHFFFAOYSA-N |
| INCHI | 1S/C23H22N2O7/c1-5-30-15-9-7-14(11-17(15)29-4)20-19(21(26)16-8-6-12(2)31-16)22(27)23(28)25(20)18-10-13(3)32-24-18/h6-11,20,27H,5H2,1-4H3 |
| Molecular Weight | 438.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolines |
| Subclass | Phenylpyrrolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolines |
| Alternative Parents | Anisoles Pyrroline carboxylic acids and derivatives Aryl ketones Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Imidolactams Vinylogous acids Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Isoxazoles Lactams Enols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrroline - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous acid - Azole - Tertiary carboxylic acid amide - Furan - Pyrrole - Isoxazole - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 438.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 438.143 Da |
| Monoisotopic Mass | 438.143 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 757.000 |
| 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 |
