1,3-Bis(4-cyanophenyl)prop-2-en-1-one
4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzonitrile
Also Known As: 4,4'-Dicyan-trans-chalkon|1,3-bis(4-cyanophenyl)prop-2-en-1-one|4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzonitrile|4-[3-(4-cyanophenyl)prop-2-enoyl]benzonitrile|4,4'-(3-Oxoprop-1-ene-1,3-diyl)dibenzonitrile|4-[3-(4-cyanophenyl)-1-oxo-2-propenyl]benzonitrile|Benzonitrile, 4,4'-(3-oxo-1-propene-1,3-diyl)bis-
CAS: 58949-77-2
| Molecular Formula | C17H10N2O |
|---|---|
| Molecular Weight | 258.0793 g/mol |
| LogP | 3.32606 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0793 |
| Monoisotopic Mass | 258.0793 |
| Heavy Atoms | 20 |
| Complexity | 726.54486 |
Chemical Identifiers
| CAS Number | 58949-77-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C#N)C#N |
Product Overview
1,3-Bis(4-cyanophenyl)prop-2-en-1-one (CAS 58949-77-2), with molecular formula C17H10N2O and molecular weight 258.0793 g/mol. IUPAC: 4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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