Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(N) 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 | CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O |
|---|---|
| IUPAC Name | 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione |
| InChIKey | NSFINZUKLACTRX-UHFFFAOYSA-N |
| INCHI | 1S/C15H9NO6/c1-7-8-4-10-11(21-6-20-10)5-9(8)22-15(19)14(7)16-12(17)2-3-13(16)18/h2-5H,6H2,1H3 |
| Isomeric SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O |
| Molecular Weight | 299.24 |
| Reaxy-Rn | 32081825 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32081825&ln= |
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 | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Benzodioxoles Pyranones and derivatives Maleimides Benzenoids N-substituted carboxylic acid imides Pyrrolines Dicarboximides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Acetals Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Pyranone - Maleimide - Carboxylic acid imide, n-substituted - Pyran - Benzenoid - Heteroaromatic compound - Pyrroline - Carboxylic acid imide - Dicarboximide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | 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 |
| Sensitivity | Light Sensitive |
|---|---|
| Molecular Weight | 299.230 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.043 Da |
| Monoisotopic Mass | 299.043 Da |
| Topological Polar Surface Area | 82.100 Ų |
| Heavy Atom Count | 22 |
| 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 |