≥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 | COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O |
|---|---|
| IUPAC Name | 5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carboxylic acid |
| InChIKey | AOXJWRUSHQJOPV-UHFFFAOYSA-N |
| INCHI | 1S/C14H12O6/c1-18-14(17)9-2-4-10(5-3-9)19-8-11-6-7-12(20-11)13(15)16/h2-7H,8H2,1H3,(H,15,16) |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O |
| PubChem CID | 4683148 |
| Molecular Weight | 276.244 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Phenoxy compounds Phenol ethers Furoic acids Benzoyl derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoate ester - Furoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Furoic acid - Alkyl aryl ether - Dicarboxylic acid or derivatives - Heteroaromatic compound - Furan - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 276.240 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 276.063 Da |
| Monoisotopic Mass | 276.063 Da |
| Topological Polar Surface Area | 86.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 348.000 |
| 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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