≥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 | COC1=CC=C(C=C1)C2=CC(=C(O2)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 5-(4-methoxyphenyl)-2-(trifluoromethyl)furan-3-carboxylic acid |
| InChIKey | PYCIUAMIBJWOSM-UHFFFAOYSA-N |
| INCHI | 1S/C13H9F3O4/c1-19-8-4-2-7(3-5-8)10-6-9(12(17)18)11(20-10)13(14,15)16/h2-6H,1H3,(H,17,18) |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=CC(=C(O2)C(F)(F)F)C(=O)O |
| PubChem CID | 2775275 |
| Molecular Weight | 286.2 |
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 | Phenoxy compounds Methoxybenzenes Furan-3-carboxylic acids Anisoles Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Anisole - Furoic acid - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen 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 |
| Melt Point(°C) | 165 |
|---|---|
| Molecular Weight | 286.200 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 286.045 Da |
| Monoisotopic Mass | 286.045 Da |
| Topological Polar Surface Area | 59.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |
