≥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 | CC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O |
|---|---|
| IUPAC Name | 5-[(4-acetylphenoxy)methyl]furan-2-carboxylic acid |
| InChIKey | LVRXELBJNRHQLM-UHFFFAOYSA-N |
| INCHI | 1S/C14H12O5/c1-9(15)10-2-4-11(5-3-10)18-8-12-6-7-13(19-12)14(16)17/h2-7H,8H2,1H3,(H,16,17) |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O |
| PubChem CID | 4683144 |
| Molecular Weight | 260.245 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetophenones Phenoxy compounds Phenol ethers Furoic acids Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Furoic acid or derivatives - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Furoic acid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic oxide - Aldehyde - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 260.240 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 260.068 Da |
| Monoisotopic Mass | 260.068 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 333.000 |
| 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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