Basic information
- CAS
352545-21-2- Standard SMILES
N#CC1C=Cc2ccccc2C1C(=O)C=Cc1ccccc1- InChIKey
DTXPWFHCBJNIKB-UHFFFAOYSA-N- Molecular formula
- C20H15NO
- Average molar mass
- 285.3 g/mol
Names & identifiers
- Preferred name
- CID 4460117
- IUPAC
- 1-(3-phenylprop-2-enoyl)-1,2-dihydronaphthalene-2-carbonitrile
- English name
- 1-cinnamoyl-1,2-dihydro-2-naphthalenecarbonitrile
- Molecular formula
- C20H15NO
- Molecular weight
- 285.34
Names & synonyms
1-cinnamoyl-1,2-dihydro-2-naphthalenecarbonitrile
Database identifiers
- CAS
352545-21-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 524.643 · 524.643±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.187 · 1.187±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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