≥90% 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 | C1CC2=C(C(=C(N2C1)C3=CC=CC=C3)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | 3-phenyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid |
| InChIKey | PZHWPPSJDKFPNA-UHFFFAOYSA-N |
| INCHI | 1S/C15H13NO4/c17-14(18)11-10-7-4-8-16(10)13(12(11)15(19)20)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,17,18)(H,19,20) |
| Isómeros SMILES | C1CC2=C(C(=C(N2C1)C3=CC=CC=C3)C(=O)O)C(=O)O |
| PubChem CID | 1473416 |
| Peso molecular | 271.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Pyrrolizines Pyrrole carboxylic acids Dicarboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyrrole - Pyrrolizine - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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 | 271.270 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.084 Da |
| Monoisotopic Mass | 271.084 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| 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 |
