Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CCC(=O)O |
|---|---|
| IUPAC Name | 4-dibenzofuran-2-yl-4-oxobutanoic acid |
| InChIKey | LQVMQEYROPXMQH-UHFFFAOYSA-N |
| INCHI | 1S/C16H12O4/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19) |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CCC(=O)O |
| Alternate CAS | 38873-55-1 |
| NSC Number | 89140 |
| MeSH Entry Terms | furobufen |
| Molecular Weight | 268.26 |
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 | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Dibenzofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzofurans |
| Alternative Parents | Butyrophenones Gamma-keto acids and derivatives Aryl alkyl ketones Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzofuran - Butyrophenone - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Benzenoid - Keto acid - Furan - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. |
| External Descriptors | Not available |
| Molecular Weight | 268.260 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.074 Da |
| Monoisotopic Mass | 268.074 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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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