≥97% 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 | CCC1=C(C=C(O1)C(=O)O)CN2CCCC2.Cl |
|---|---|
| IUPAC Name | 5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride |
| InChIKey | LRGNRKKGFWKXJP-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO3.ClH/c1-2-10-9(7-11(16-10)12(14)15)8-13-5-3-4-6-13;/h7H,2-6,8H2,1H3,(H,14,15);1H |
| Isomeric SMILES | CCC1=C(C=C(O1)C(=O)O)CN2CCCC2.Cl |
| PubChem CID | 46736434 |
| Molecular Weight | 259.74 |
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 |
| Class | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acids |
| Alternative Parents | Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furoic acid - Aralkylamine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Hydrochloride - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 259.730 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.098 Da |
| Monoisotopic Mass | 259.098 Da |
| Topological Polar Surface Area | 53.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 | 2 |
