1,4,4a,5a,6,9,9a,9b-Octahydrodibenzo[b,d]furan-2,3,7,8-tetracarbonitrile
Basic information
- CAS
64760-84-5- Standard SMILES
N#CC1=C(C#N)CC2C(C1)OC1CC(C#N)=C(C#N)CC12- InChIKey
DMULQKYQIBHSMW-UHFFFAOYSA-N- Molecular formula
- C16H12N4O
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.10111102
Names & identifiers
- Preferred name
- 1,4,4a,5a,6,9,9a,9b-Octahydrodibenzo[b,d]furan-2,3,7,8-tetracarbonitrile
- IUPAC
- 1,4,4a,5a,6,9,9a,9b-octahydrodibenzofuran-2,3,7,8-tetracarbonitrile
Names & synonyms
64760-84-5NSC310293DTXSID803170671,4,4a,5a,6,9,9a,9b-Octahydrodibenzo[b,d]furan-2,3,7,8-tetracarbonitrileNSC-310293
Database identifiers
- CAS
64760-84-5- PubChem CID
- 329161
- DTXSID
DTXSID80317067
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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