(S)-5-Methyl-3-nitromethyl-hexanoic acid monopotassium salt
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Basic information
- Standard SMILES
CC(C)C[C@@H](CC(=O)[O-])C[N+](=O)[O-].[K+]- InChIKey
XQIOBMIBHBNVTN-FJXQXJEOSA-M- Molecular formula
- C8H14KNO4
- Average molar mass
- 227.3 g/mol
Names & identifiers
- Preferred name
- (S)-5-Methyl-3-nitromethyl-hexanoic acid monopotassium salt
- IUPAC
- potassium (3S)-5-methyl-3-(nitromethyl)hexanoate
Names & synonyms
SCHEMBL1409953XQIOBMIBHBNVTN-FJXQXJEOSA-M(S)-5-Methyl-3-nitromethyl-hexanoic acid monopotassium salt
Database identifiers
- PubChem CID
- 87239685
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Related reactions
1 records
Compound notes
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