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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COCCN(CCOC)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C=CC(=C4)Cl)OC3=O)O |
|---|---|
| IUPAC Name | 8-[[bis(2-methoxyethyl)amino]methyl]-4-(6-chloro-2-oxochromen-3-yl)-7-hydroxychromen-2-one |
| InChIKey | LUUFLDQMYSGUKD-UHFFFAOYSA-N |
| INCHI | 1S/C25H24ClNO7/c1-31-9-7-27(8-10-32-2)14-20-21(28)5-4-17-18(13-23(29)34-24(17)20)19-12-15-11-16(26)3-6-22(15)33-25(19)30/h3-6,11-13,28H,7-10,14H2,1-2H3 |
| Molecular Weight | 485.9 |
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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 Pyranones and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Aryl chloride - Benzenoid - Pyran - Aryl halide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - 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 | 485.900 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 485.124 Da |
| Monoisotopic Mass | 485.124 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 807.000 |
| 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 |
![8-[[Bis(2-methoxyethyl)amino]methyl]-4-(6-chloro-2-oxochromen-3-yl)-7-hydroxychromen-2-one , CAS No.859667-11-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)