Dodec-7-enenitrile
Basic information
- CAS
68671-06-7- Standard SMILES
CCCCC=CCCCCCC#N- InChIKey
ULLBCVVKCCIUFM-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- Dodec-7-enenitrile
- IUPAC
- dodec-7-enenitrile
- English name
- 7-Dodecenenitrile
- Molecular formula
- C12H21N
- Molecular weight
- 179.3
Names & synonyms
7-Dodecenenitrile
Database identifiers
- CAS
68671-06-7- PubChem CID
- 153971244
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 290.748 · 290.748±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.839 · 0.839±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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