| Canonical Smiles | C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=CC=CC=C4C3=O |
|---|---|
| IUPAC Name | 2-naphthalen-2-ylindene-1,3-dione |
| InChIKey | BHWNKMZDGUUSLD-UHFFFAOYSA-N |
| INCHI | 1S/C19H12O2/c20-18-15-7-3-4-8-16(15)19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H |
| Molecular Weight | 272.300 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanediones |
| Alternative Parents | Naphthalenes Aryl alkyl ketones Beta-diketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanedione - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1,3-diketone - 1,3-dicarbonyl compound - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups. |
| External Descriptors | Not available |
| Molecular Weight | 272.300 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 272.084 Da |
| Monoisotopic Mass | 272.084 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |
