≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=CC(=C(C=C12)Cl)OCC(=O)O)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid |
| InChIKey | KHCSUAMITWDROU-UHFFFAOYSA-N |
| INCHI | 1S/C19H15ClO5/c1-11-13-8-15(20)17(24-10-18(21)22)9-16(13)25-19(23)14(11)7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3,(H,21,22) |
| Isómeros SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)O)CC3=CC=CC=C3 |
| PubChem CID | 1332028 |
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 | Phenylpropanoids and polyketides |
| Clase | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | Phenoxyacetic acid derivatives 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Phenoxyacetate - 1-benzopyran - Benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
| Peso molecular | 358.800 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 358.061 Da |
| Monoisotopic Mass | 358.061 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 552.000 |
| 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 |
![[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid - ≥95% , CAS No.690679-66-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)