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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2C3=CC=CC=C3C1O2 |
|---|---|
| IUPAC Name | 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene |
| InChIKey | SPELXJYTVLDKGB-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-4,9-10H,5-6H2 |
| Molecular Weight | 146.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Isocoumarans Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetralin - Isocoumaran - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
| Molecular Weight | 146.190 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 146.073 Da |
| Monoisotopic Mass | 146.073 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |