Basic information
- CAS
62328-99-8- Standard SMILES
CC(CCCC(C)=C(C#N)C#N)=C(C#N)C#N- InChIKey
QXWOPULVVVDEOI-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 1,6-Heptadiene-1,1,7,7-tetracarbonitrile, 2,6-dimethyl-
- IUPAC
- 2,6-dimethylhepta-1,6-diene-1,1,7,7-tetracarbonitrile
Names & synonyms
62328-99-81,6-Heptadiene-1,1,7,7-tetracarbonitrile, 2,6-dimethyl-DTXSID504872662,6-DIMETHYLHEPTA-1,6-DIENE-1,1,7,7-TETRACARBONITRILE
Database identifiers
- CAS
62328-99-8- PubChem CID
- 12311684
- DTXSID
DTXSID50487266
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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