Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 3.73±0.75 μg/kg Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 92 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488188548 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188548 |
| Sorrisos canónicos | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 |
| IUPAC Name | (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione |
| InChIKey | OQIQSTLJSLGHID-WNWIJWBNSA-N |
| INCHI | 1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 |
| SMILES isoméricas | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| WGK Alemanha | 3 |
| RTECS | GY1925000 |
| Número UN | 2811 |
| Grupo de embalagem | I |
| Peso molecular | 312.27 |
| Reaxy-Rn | 1355709 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1355709&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 |
| Classe | Coumarins and derivatives |
| Subclass | Furanocoumarins |
| Intermediate Tree Nodes | Angular furanocoumarins - Aflatoxins |
| Direct Parent | Difurocoumarocyclopentenones |
| Alternative Parents | 1-benzopyrans Coumarans Aryl alkyl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Dihydrofurans Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Difurocoumarocyclopentenone - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Dihydrofuran - Lactone - Ketone - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton. |
| External Descriptors | aromatic ether - aflatoxin - aromatic ketone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
| Certificate of Analysis | May 08, 2025 | A777915 | |
| Certificate of Analysis | May 08, 2025 | A777915 | |
| Certificate of Analysis | May 08, 2025 | A777915 | |
| Certificate of Analysis | May 08, 2025 | A777915 | |
| Certificate of Analysis | May 08, 2025 | A777915 |
| Sensibilidade | Moisture sensitive |
|---|---|
| Ponto de fusão (°C) | 268~269°C |
| Peso molecular | 312.270 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 312.063 Da |
| Monoisotopic Mass | 312.063 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →