Basic information
- Standard SMILES
O=C1CC=CC2=C1CCCCC2- InChIKey
LXVTYYMHLFYBND-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
Names & identifiers
- Preferred name
- Benzocycloheptan-1-one
- IUPAC
- 3,5,6,7,8,9-hexahydrobenzo[7]annulen-4-one
Names & synonyms
benzocycloheptan-1-oneSCHEMBL7996503LXVTYYMHLFYBND-UHFFFAOYSA-NZB14642,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-1-one
Database identifiers
- PubChem CID
- 21703317
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 258
Related reactions
5 records
Compound notes
Loading…