| Canonical Smiles | C1CC(C2=CC=CC=C2C1)C=O |
|---|---|
| IUPAC Name | 1,2,3,4-tetrahydronaphthalene-1-carbaldehyde |
| InChIKey | ZXDOJLXKYNWBMK-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7-8,10H,3,5-6H2 |
| Isomeric SMILES | C1CC(C2=CC=CC=C2C1)C=O |
| PubChem CID | 366956 |
| Molecular Weight | 160.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetralin - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homopolycyclic 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 |
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| Molecular Weight | 160.210 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 160.089 Da |
| Monoisotopic Mass | 160.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
