Basic information
- CAS
61365-71-7- Standard SMILES
O=C1C=CC(=Cc2ccccc2)C=C1- InChIKey
JZGBFLPDWLTZHJ-UHFFFAOYSA-N- Molecular formula
- C13H10O
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.07316494
Names & identifiers
- Preferred name
- 4-Benzylidenecyclohexa-2,5-dien-1-one
- IUPAC
- 4-benzylidenecyclohexa-2,5-dien-1-one
Names & synonyms
4-Benzylidenecyclohexa-2,5-dien-1-one61365-71-7DTXSID10720000RefChem:290334DTXCID80670745SCHEMBL1811431
Database identifiers
- CAS
61365-71-7- PubChem CID
- 56992000
- DTXSID
DTXSID10720000- Nikkaji
- J1.748.723J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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