1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one
Basic information
- CAS
129967-65-3- Standard SMILES
CC1C2CCCC(C)(C2=O)C(C)C1[N+](=O)[O-]- InChIKey
YAQCJOZXWLXCHO-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one
- IUPAC
- 1,2,4-trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one
Names & synonyms
1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-oneDTXSID30880630YAQCJOZXWLXCHO-UHFFFAOYSA-N129967-65-3NS000962411,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one #Bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-Bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+/-.)-
Database identifiers
- CAS
129967-65-3- PubChem CID
- 565444
- DTXSID
DTXSID30880630
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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