Bicyclo(4.2.1)nona-2,4,7-triene
Basic information
- CAS
5240-87-9- Standard SMILES
C1=CC2C=CC(C=C1)C2- InChIKey
IHYGTTYKWKUIBR-UHFFFAOYSA-N- Molecular formula
- C9H10
- Average molar mass
- 118.18 g/mol
- Monoisotopic mass
- 118.07825032
Names & identifiers
- Preferred name
- Bicyclo(4.2.1)nona-2,4,7-triene
- IUPAC
- bicyclo[4.2.1]nona-2,4,7-triene
- English name
- Bicyclo[4.2.1]nona-2,4,7-triene
- Molecular formula
- C9H10
- Molecular weight
- 118.18
Names & synonyms
bicyclo[4.2.1]nona-2,4,7-trieneBicyclo(4.2.1)nona-2,4,7-triene5240-87-9DTXSID20966816RefChem:329403DTXCID601394434AKOS024436728
Database identifiers
- CAS
5240-87-9- PubChem CID
- 138441
- DTXSID
DTXSID20966816- Nikkaji
- J666.196C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- -92.7 °C · -92.7 °C
- Boiling point
- 106 °C · 106 °C(Press: 99 Torr)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
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Compound notes
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