≥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.
| Canonical Smiles | CC(C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl |
|---|---|
| IUPAC Name | 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid |
| InChIKey | IHPVIWJZZRTWJJ-UHFFFAOYSA-N |
| INCHI | 1S/C18H13ClO5/c1-10(18(21)22)23-16-9-15-13(7-14(16)19)12(8-17(20)24-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22) |
| Isomeric SMILES | CC(C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl |
| PubChem CID | 363678 |
| NSC Number | 628750 |
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 |
| Class | Neoflavonoids |
| Subclass | Neoflavones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Neoflavones |
| Alternative Parents | Phenoxyacetic acid derivatives Coumarins and 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 | 4-phenylcoumarin - Phenoxyacetate - Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 344.700 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 344.045 Da |
| Monoisotopic Mass | 344.045 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid - ≥97% , CAS No.327097-31-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)