Basic information
- Standard SMILES
CC(C)C[C@H](C#N)CC(=O)[O-].[K+]- InChIKey
VIEBAHSWFNJHEW-FJXQXJEOSA-M- Molecular formula
- C8H12KNO2
- Average molar mass
- 193.28 g/mol
Names & identifiers
- Preferred name
- potassium (S)-3-cyano-5-methylhexanoate
- IUPAC
- potassium (3S)-3-cyano-5-methylhexanoate
Names & synonyms
potassium (S)-3-cyano-5-methylhexanoateSCHEMBL15608VIEBAHSWFNJHEW-FJXQXJEOSA-M(s)-3-cyano-5-methyl-hexanoic acid potassium salt
Database identifiers
- PubChem CID
- 23712894
Properties
Computed structural properties
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
7 records
Compound notes
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