Bicyclo[3.2.2]nonane-6,8-dione
Basic information
- CAS
21173-67-1- Standard SMILES
O=C1CC2CCCC1CC2=O- InChIKey
XQMMPZLKHKUSOV-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- Bicyclo[3.2.2]nonane-6,8-dione
- IUPAC
- bicyclo[3.2.2]nonane-6,8-dione
- English name
- bicyclo[3.2.2]nonane-6,8-dione
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
Bicyclo[3.2.2]nonane-6,8-dione21173-67-1SCHEMBL2848689DTXSID20738292XQMMPZLKHKUSOV-UHFFFAOYSA-Nbicyclo-[3.2.2]-nonane-6,8-dionerac-(1R*,5R*)-bicyclo[3.2.2]nonane-6,8-dione
Database identifiers
- CAS
21173-67-1- PubChem CID
- 68415481
- DTXSID
DTXSID20738292- Nikkaji
- J274.569K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 283.7 · 283.7±33.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
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Compound notes
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