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 | C1CCN(CC1)CC2=CC=C(O2)C(=O)O |
|---|---|
| IUPAC Name | 5-(piperidin-1-ylmethyl)furan-2-carboxylic acid |
| InChIKey | FOMTWLBLESUJEU-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14) |
| Isomeric SMILES | C1CCN(CC1)CC2=CC=C(O2)C(=O)O |
| PubChem CID | 653379 |
| Molecular Weight | 245.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Furanoid amino acids and derivatives |
| Alternative Parents | Furoic acids Aralkylamines Piperidines Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furanoid amino acid - Furoic acid or derivatives - Furoic acid - Aralkylamine - Piperidine - Furan - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring. |
| External Descriptors | Not available |
| Molecular Weight | 209.240 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 209.105 Da |
| Monoisotopic Mass | 209.105 Da |
| Topological Polar Surface Area | 53.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
