Basic information
- Standard SMILES
C[C@@H](CCCC(=O)O)O[N+](=O)[O-]- InChIKey
WCJMWGWSDDVBOJ-YFKPBYRVSA-N- Molecular formula
- C6H11NO5
- Average molar mass
- 177.16 g/mol
Names & identifiers
- Preferred name
- (S)-5-(nitrooxy)hexanoic acid
- IUPAC
- (5S)-5-nitrooxyhexanoic acid
Names & synonyms
SCHEMBL397367(S)-5-(nitrooxy)hexanoic acidWCJMWGWSDDVBOJ-YFKPBYRVSA-N
Database identifiers
- PubChem CID
- 58231663
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Related reactions
2 records
Compound notes
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