Basic information
- CAS
18214-15-8- Standard SMILES
N#CCCCCCC=O- InChIKey
SMNFKQSLBIZTHH-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 7-Oxoheptanenitrile
- IUPAC
- 7-oxoheptanenitrile
Names & synonyms
7-oxoheptanenitrile18214-15-8Heptanenitrile, 7-oxo-7-oxo-heptanenitrileSCHEMBL986285DTXSID80462889DA-09023
Database identifiers
- CAS
18214-15-8- PubChem CID
- 11344019
- DTXSID
DTXSID80462889- Nikkaji
- J2.260.187C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Related reactions
6 records
Compound notes
Loading…