≥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.
| Canonical Smiles | C1CC2=C(C(=C(N2C1)C3=CC(=CC=C3)Cl)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | 3-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid |
| InChIKey | LRIHSKNOBAGNNP-UHFFFAOYSA-N |
| INCHI | 1S/C15H12ClNO4/c16-9-4-1-3-8(7-9)13-12(15(20)21)11(14(18)19)10-5-2-6-17(10)13/h1,3-4,7H,2,5-6H2,(H,18,19)(H,20,21) |
| Isomeric SMILES | C1CC2=C(C(=C(N2C1)C3=CC(=CC=C3)Cl)C(=O)O)C(=O)O |
| PubChem CID | 1473417 |
| Molecular Weight | 305.72 |
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 |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrolizines Pyrrole carboxylic acids Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyrrole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Pyrrolizine - Chlorobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Aryl chloride - Vinylogous amide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 305.710 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 305.045 Da |
| Monoisotopic Mass | 305.045 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
