for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C(N(C(=C1C(=O)O)C)CCCOC)C2=CC=C(C=C2)OC |
|---|---|
| IUPAC Name | 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxylic acid |
| InChIKey | VTAYNXCWVIIWLT-UHFFFAOYSA-N |
| INCHI | 1S/C18H23NO4/c1-12-16(18(20)21)13(2)19(10-5-11-22-3)17(12)14-6-8-15(23-4)9-7-14/h6-9H,5,10-11H2,1-4H3,(H,20,21) |
| Isómeros SMILES | CC1=C(N(C(=C1C(=O)O)C)CCCOC)C2=CC=C(C=C2)OC |
| CAS alternativo | 879329-84-7 |
| PubChem CID | 25219817 |
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 | Organoheterocyclic compounds |
| Clase | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrole carboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrrole - Phenoxy compound - Anisole - Phenol ether - Pyrrole-3-carboxylic acid - Methoxybenzene - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 317.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 317.163 Da |
| Monoisotopic Mass | 317.163 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 |
