≥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.
| Sonrisas canónicas | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C4=CC=CC=C4)C)CC(=O)O |
|---|---|
| IUPAC Name | 2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetic acid |
| InChIKey | BXUDTPJQXZXHND-UHFFFAOYSA-N |
| INCHI | 1S/C21H16O5/c1-11-14-8-16-17(13-6-4-3-5-7-13)10-25-19(16)12(2)20(14)26-21(24)15(11)9-18(22)23/h3-8,10H,9H2,1-2H3,(H,22,23) |
| Isómeros SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C4=CC=CC=C4)C)CC(=O)O |
| CAS alternativo | 664366-12-5 |
| PubChem CID | 906693 |
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 |
| Clase | Benzofurans |
| Subclass | Phenylbenzofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzofurans |
| Alternative Parents | Psoralens 1-benzopyrans Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Furans Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzofuran - Furanocoumarin - Linear furanocoumarin - Psoralen - Coumarin - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan. |
| External Descriptors | Not available |
| Peso molecular | 348.300 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 348.1 Da |
| Monoisotopic Mass | 348.1 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 618.000 |
| 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 |
