Basic information
- CAS
14019-17-1- Standard SMILES
C1=CC=CC(=Cc2ccccc2)C=C1- InChIKey
ZKHKMQMOFMCDKO-UHFFFAOYSA-N- Molecular formula
- C14H12
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.09390038
Names & identifiers
- Preferred name
- 7-Benzylidenecyclohepta-1,3,5-triene
- IUPAC
- 7-benzylidenecyclohepta-1,3,5-triene
Names & synonyms
7-Benzylidenecyclohepta-1,3,5-trieneDTXSID3049538414019-17-1RefChem:310330DTXCID30446194
Database identifiers
- CAS
14019-17-1- PubChem CID
- 12379713
- DTXSID
DTXSID30495384
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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