≥98% 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.
| ALogP | 1.9 |
|---|
| Canonical Smiles | COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O |
|---|---|
| IUPAC Name | 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one |
| InChIKey | MVJHUMZXIJPVHV-UHFFFAOYSA-N |
| INCHI | 1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3 |
| Isomeric SMILES | COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O |
| PubChem CID | 3083726 |
| Molecular Weight | 232.19 |
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 | Furanocoumarins |
| Intermediate Tree Nodes | Linear furanocoumarins - Psoralens |
| Direct Parent | 5-methoxypsoralens |
| Alternative Parents | 8-hydroxypsoralens 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-methoxypsoralen - 8-hydroxypsoralen - 1-benzopyran - Benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 232.190 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 232.037 Da |
| Monoisotopic Mass | 232.037 Da |
| Topological Polar Surface Area | 68.900 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 353.000 |
| 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 |
