Tricyclo(3.2.1.13,6)nonan-7-one
Basic information
- CAS
17931-67-8- Standard SMILES
O=C1C2CC3CC(C2)C1C3- InChIKey
QUXWGFTVVNVNFO-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- Tricyclo(3.2.1.13,6)nonan-7-one
- IUPAC
- tricyclo[3.3.1.03,7]nonan-2-one
Names & synonyms
Tricyclo(3.2.1.13,6)nonan-7-one17931-67-8Tricyclo[3.2.1.13,6]nonan-7-onenor-adamantan-2-oneDTXSID60939201Hexahydro-2,5-methanopentalen-1(2H)-one
Database identifiers
- CAS
17931-67-8- PubChem CID
- 140306
- DTXSID
DTXSID60939201- Nikkaji
- J551.943H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…