Basic information
- CAS
7404-77-5- Standard SMILES
CC(=O)C1CC(C)([N+](=O)[O-])CCC1(C)O- InChIKey
AMVMHQODMGEQGU-UHFFFAOYSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11575802
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one
- IUPAC
- 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone
Names & synonyms
7404-77-5NSC4031231-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-oneDTXSID70323132NSC-4031231-(2-hydroxy-2,5-dimethyl-5-nitro-cyclohexyl)-ethanone
Database identifiers
- CAS
7404-77-5- PubChem CID
- 345482
- DTXSID
DTXSID70323132
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…