Basic information
- CAS
17429-54-8- Standard SMILES
CC1(C)CCCC(=Cc2ccco2)C1=O- InChIKey
UJMQPWYFRVJMLG-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- Agn-PC-036epe
- IUPAC
- 6-(furan-2-ylmethylidene)-2,2-dimethylcyclohexan-1-one
- English name
- 6-Furfurylidene-2,2-dimethylcyclohexanone
- Molecular formula
- C13H16O2
- Molecular weight
- 204.27
Names & synonyms
AGN-PC-036EPE17429-54-8DTXSID80344196RefChem:317575DTXCID402952716-(Furan-2-ylmethylidene)-2,2-dimethylcyclohexan-1-one2,2-dimethyl-6-furfurylidene-cyclohexanone6-[(furan-2-yl)methylidene]-2,2-dimethylcyclohexan-1-one6-Furfurylidene-2,2-dimethylcyclohexanone
Database identifiers
- CAS
17429-54-8- PubChem CID
- 595014
- DTXSID
DTXSID80344196
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 307.949 · 307.949±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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