≥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.
| Canonical Smiles | CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O |
|---|---|
| IUPAC Name | 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one |
| InChIKey | HKCKVTDFGSVSOU-UHFFFAOYSA-N |
| INCHI | 1S/C23H24N2O5/c1-15-19(26)4-3-18-17(11-22(27)30-23(15)18)13-25-8-6-24(7-9-25)12-16-2-5-20-21(10-16)29-14-28-20/h2-5,10-11,26H,6-9,12-14H2,1H3 |
| Molecular Weight | 408.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-hydroxycoumarins |
| Alternative Parents | 1-benzopyrans Benzodioxoles Pyranones and derivatives N-alkylpiperazines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 7-hydroxycoumarin - Benzopyran - 1-benzopyran - Benzodioxole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 408.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.169 Da |
| Monoisotopic Mass | 408.169 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 662.000 |
| 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 |
![4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-7-hydroxy-8-methyl-2H-chromen-2-one - ≥98% , CAS No.848182-60-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)