Bicyclo(3.3.1)nona-2,6-diene
Basic information
- CAS
13534-07-1- Standard SMILES
C1=CC2CC=CC(C1)C2- InChIKey
KCHMRTCANKSGHQ-UHFFFAOYSA-N- Molecular formula
- C9H12
- Average molar mass
- 120.19 g/mol
- Monoisotopic mass
- 120.09390038
Names & identifiers
- Preferred name
- Bicyclo(3.3.1)nona-2,6-diene
- IUPAC
- bicyclo[3.3.1]nona-2,6-diene
Names & synonyms
Bicyclo[3.3.1]nona-2,6-diene13534-07-1DTXSID40339462Bicyclo(3.3.1)nona-2,6-dieneRefChem:329349DTXCID80290543KCHMRTCANKSGHQ-UHFFFAOYSA-NSCHEMBL5693011
Database identifiers
- CAS
13534-07-1- PubChem CID
- 556345
- DTXSID
DTXSID40339462- Nikkaji
- J685.247E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
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Compound notes
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