7,8-Dioxabicyclo[4.2.1]nonane
Basic information
- CAS
68525-35-9- Standard SMILES
C1CCC2CC(C1)OO2- InChIKey
LKNKAJUDGBRRBI-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 7,8-Dioxabicyclo[4.2.1]nonane
- IUPAC
- 7,8-dioxabicyclo[4.2.1]nonane
Names & synonyms
7,8-Dioxabicyclo[4.2.1]nonane68525-35-97,8-Dioxabicyclo(4.2.1)nonaneDTXSID20988199
Database identifiers
- CAS
68525-35-9- PubChem CID
- 144306
- DTXSID
DTXSID20988199
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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