Bicyclo[2.2.2]octane-2,3-dicarbonitrile
Basic information
- CAS
6303-65-7- Standard SMILES
N#CC1C2CCC(CC2)C1C#N- InChIKey
KQVJLZRILSXTIY-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]octane-2,3-dicarbonitrile
- IUPAC
- bicyclo[2.2.2]octane-2,3-dicarbonitrile
Names & synonyms
6303-65-7bicyclo[2.2.2]octane-2,3-dicarbonitrileNSC42842Bicyclo[2.2.2]octane-2,3-dicarbonitrile,trans-DTXSID90978946NSC47608NSC-42842NSC-476086641-42-5DS-007267
Database identifiers
- CAS
6303-65-7、6641-42-5- PubChem CID
- 238487
- DTXSID
DTXSID90978946
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 239
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Compound notes
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