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Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COCCN1CC2=CC(=CO2)C(=O)O |
|---|---|
| IUPAC Name | 5-(morpholin-4-ylmethyl)furan-3-carboxylic acid |
| InChIKey | RAMGTGOTVBPNGM-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO4/c12-10(13)8-5-9(15-7-8)6-11-1-3-14-4-2-11/h5,7H,1-4,6H2,(H,12,13) |
| Isomeric SMILES | C1COCCN1CC2=CC(=CO2)C(=O)O |
| PubChem CID | 17352645 |
| Molecular Weight | 211.21 |
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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 | Furan-3-carboxylic acids Aralkylamines Morpholines Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Furoic acid - Aralkylamine - Morpholine - Oxazinane - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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 | 211.210 g/mol |
|---|---|
| XLogP3 | -2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.084 Da |
| Monoisotopic Mass | 211.084 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
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