Basic information
- CAS
62071-29-8- Standard SMILES
CC(=O)CC(C)(C)C(C#N)c1ccccc1- InChIKey
IOMBQFNGNQILIJ-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Names & identifiers
- Preferred name
- 3,3-Dimethyl-5-oxo-2-phenylhexanenitrile
- IUPAC
- 3,3-dimethyl-5-oxo-2-phenylhexanenitrile
Names & synonyms
62071-29-83,3-dimethyl-5-oxo-2-phenylhexanenitrileNSC332780DTXSID80330913NSC-3327803,3-Dimethyl-5-oxo-2-phenyl-hexanenitrileDS-004624
Database identifiers
- CAS
62071-29-8- PubChem CID
- 433550
- DTXSID
DTXSID80330913- Nikkaji
- J842.282F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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