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| Canonical Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+]#N |
|---|---|
| IUPAC Name | 9,10-dioxoanthracene-1-diazonium |
| InChIKey | AYWYBCRYWKVVBR-UHFFFAOYSA-N |
| INCHI | 1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1 |
| Molecular Weight | 235.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinones |
| Alternative Parents | Aryl ketones Organic diazonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Anthraquinone - 9,10-anthraquinone - Aryl ketone - Organic diazonium salt - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. |
| External Descriptors | Not available |
| Molecular Weight | 235.220 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 235.051 Da |
| Monoisotopic Mass | 235.051 Da |
| Topological Polar Surface Area | 62.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 1 |
| Complexity | 436.000 |
| 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 |