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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CCO |
|---|---|
| IUPAC Name | 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methylbenzo[f][1]benzofuran-4,9-dione |
| InChIKey | YBMIETRRRLMIFK-UHFFFAOYSA-N |
| INCHI | 1S/C20H20N2O5/c1-12-15(20(26)22-8-6-21(7-9-22)10-11-23)16-17(24)13-4-2-3-5-14(13)18(25)19(16)27-12/h2-5,23H,6-11H2,1H3 |
| Peso molecular | 368.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Naphthofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthofurans |
| Alternative Parents | Naphthalenes Furan-3-carboxylic acid and derivatives Aryl ketones N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthofuran - Naphthalene - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Aryl ketone - N-alkylpiperazine - Piperazine - 1,4-diazinane - Benzenoid - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Ketone - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Amine - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | Not available |
| Peso molecular | 368.400 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 368.137 Da |
| Monoisotopic Mass | 368.137 Da |
| Topological Polar Surface Area | 91.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 615.000 |
| 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 |
![3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)-2-methylnaphtho[2,3-b]furan-4,9-dione , CAS No.690640-84-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)