Basic information
- CAS
18548-48-6- Standard SMILES
c1cccc2cccccc-2ccc1- InChIKey
WSAQFOWYQGDUAH-UHFFFAOYSA-N- Molecular formula
- C14H12
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.09390038
Names & identifiers
- Preferred name
- (5aZ,7Z,9Z,11Z)-Cyclohepta[9]annulene
- IUPAC
- bicyclo[7.5.0]tetradeca-1(14),2,4,6,8,10,12-heptaene
Names & synonyms
(5aZ,7Z,9Z,11Z)-Cyclohepta[9]annulene18548-48-6DTXSID40855132[5a(6)Z,7Z,9Z,11Z]-Cyclohepta[9]annulene
Database identifiers
- CAS
18548-48-6- PubChem CID
- 71446751
- DTXSID
DTXSID40855132
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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