Basic information
- CAS
2861-05-4- Standard SMILES
CCC(C)=C=CC#N- InChIKey
VBZOXDOTLDTRDC-UHFFFAOYSA-N- Molecular formula
- C7H9N
- Average molar mass
- 107.15 g/mol
- Monoisotopic mass
- 107.07349929
Names & identifiers
- Preferred name
- 4-Methylhexa-2,3-dienenitrile
- IUPAC
- 4-methylhexa-2,3-dienenitrile
Names & synonyms
4-Methylhexa-2,3-dienenitrileDTXSID004948842861-05-4RefChem:294587DTXCID00445694
Database identifiers
- CAS
2861-05-4- PubChem CID
- 12371838
- DTXSID
DTXSID00494884
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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