Methyl 5,5,6,6-tetracyanobicyclo[2.2.2]oct-2-ene-1-carboxylate
Basic information
- CAS
92061-12-6- Standard SMILES
COC(=O)C12C=CC(CC1)C(C#N)(C#N)C2(C#N)C#N- InChIKey
GBMTXUMSYNARHD-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- Methyl 5,5,6,6-tetracyanobicyclo[2.2.2]oct-2-ene-1-carboxylate
- IUPAC
- methyl 5,5,6,6-tetracyanobicyclo[2.2.2]oct-2-ene-1-carboxylate
Names & synonyms
92061-12-6NSC52591methyl 5,5,6,6-tetracyanobicyclo[2.2.2]oct-2-ene-1-carboxylateDTXSID60287815NSC-52591
Database identifiers
- CAS
92061-12-6- PubChem CID
- 243238
- DTXSID
DTXSID60287815
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 681
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Compound notes
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