Basic information
- CAS
112365-68-1- Standard SMILES
C1=CCC(c2ccccn2)C=C1- InChIKey
ZLEGTHOLZZOFQA-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914936
Names & identifiers
- Preferred name
- 2-(Cyclohexa-2,4-dien-1-yl)pyridine
- IUPAC
- 2-cyclohexa-2,4-dien-1-ylpyridine
Names & synonyms
112365-68-12-(Cyclohexa-2,4-dien-1-yl)pyridineSCHEMBL995168DTXSID80602182
Database identifiers
- CAS
112365-68-1- PubChem CID
- 20076677
- DTXSID
DTXSID80602182
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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