2-[(1E)-N-Hydroxyethanimidoyl]-1-methyl-4-nitro-4-propylcyclohexan-1-ol
Basic information
- CAS
7501-89-5- Standard SMILES
CCCC1([N+](=O)[O-])CCC(C)(O)C(/C(C)=N/O)C1- InChIKey
IJSMKMQPDLPVSD-UKTHLTGXSA-N- Molecular formula
- C12H22N2O4
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.15795719
Names & identifiers
- Preferred name
- 2-[(1E)-N-Hydroxyethanimidoyl]-1-methyl-4-nitro-4-propylcyclohexan-1-ol
- IUPAC
- 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-methyl-4-nitro-4-propylcyclohexan-1-ol
Names & synonyms
DTXSID004196737501-89-52-[(1E)-N-Hydroxyethanimidoyl]-1-methyl-4-nitro-4-propylcyclohexan-1-ol
Database identifiers
- CAS
7501-89-5- PubChem CID
- 9569508
- DTXSID
DTXSID00419673
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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