≥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 | C1COC2=C1C=C(C=C2)C3=NOC(=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid |
| InChIKey | YLZWIRUONYPDCZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H9NO4/c14-12(15)11-6-9(13-17-11)7-1-2-10-8(5-7)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15) |
| PubChem CID | 43803992 |
| Molecular Weight | 231.2 |
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 | Coumarans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarans |
| Alternative Parents | Alkyl aryl ethers Benzenoids Isoxazoles Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Alkyl aryl ether - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Oxacycle - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. |
| External Descriptors | Not available |
| Molecular Weight | 231.200 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.053 Da |
| Monoisotopic Mass | 231.053 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| 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 |
