Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads 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.
Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Sonrisas canónicas | CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N5C(=O)C=CC5=O)C(=O)O3)C6=C(O2)C=C(C=C6)OC(=O)C |
|---|---|
| IUPAC Name | [6'-acetyloxy-5-(2,5-dioxopyrrol-1-yl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate |
| InChIKey | WZBJWHQRQDEKOF-UHFFFAOYSA-N |
| INCHI | 1S/C28H17NO9/c1-14(30)35-17-4-7-21-23(12-17)37-24-13-18(36-15(2)31)5-8-22(24)28(21)20-6-3-16(11-19(20)27(34)38-28)29-25(32)9-10-26(29)33/h3-13H,1-2H3 |
| Isómeros SMILES | CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N5C(=O)C=CC5=O)C(=O)O3)C6=C(O2)C=C(C=C6)OC(=O)C |
| Peso molecular | 511.4 |
| Reaxy-Rn | 19203743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19203743&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 | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Phthalides Benzofuranones Tricarboxylic acids and derivatives Isobenzofurans Maleimides Benzenoids N-substituted carboxylic acid imides Pyrrolines Dicarboximides Carboxylic acid esters Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Isobenzofuran - Tricarboxylic acid or derivatives - Maleimide - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrroline - Lactone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
| Solubilidad | Soluble in DMSO |
|---|---|
| Sensibilidad | Sensitive to light and humidity |
| Peso molecular | 511.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 511.09 Da |
| Monoisotopic Mass | 511.09 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1030.000 |
| 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 |