≥95% 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 | C1=CC(=CC(=C1)OCC2=C(C=CO2)C(=O)O)C=O |
|---|---|
| IUPAC Name | 2-[(3-formylphenoxy)methyl]furan-3-carboxylic acid |
| InChIKey | BWMVXNOPPLVQCY-UHFFFAOYSA-N |
| INCHI | 1S/C13H10O5/c14-7-9-2-1-3-10(6-9)18-8-12-11(13(15)16)4-5-17-12/h1-7H,8H2,(H,15,16) |
| Isomeric SMILES | C1=CC(=CC(=C1)OCC2=C(C=CO2)C(=O)O)C=O |
| PubChem CID | 43477569 |
| Molecular Weight | 246.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Phenoxy compounds Phenol ethers Furan-3-carboxylic acids Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - Furoic acid - Phenol ether - Phenoxy compound - Furan-3-carboxylic acid or derivatives - Furan-3-carboxylic acid - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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 | 246.210 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 246.053 Da |
| Monoisotopic Mass | 246.053 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 304.000 |
| 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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