2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
Basic information
- CAS
19005-04-0- Standard SMILES
N#CC1=C(C#N)C2C=CC1CC2- InChIKey
RLNADZKFZHHARG-UHFFFAOYSA-N- Molecular formula
- C10H8N2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.06874826
Names & identifiers
- Preferred name
- 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
- IUPAC
- bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile
Names & synonyms
2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene19005-04-02,3-Dicyanobicyclo[2.2.2]octa-2,5-dienebicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrileDTXSID70940540
Database identifiers
- CAS
19005-04-0- PubChem CID
- 140459
- DTXSID
DTXSID70940540
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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