4-Hex-1-ynylbenzonitrile
4-hex-1-ynylbenzonitrile
Also Known As: 4-hex-1-ynylbenzonitrile|4-(hex-1-yn-1-yl)benzonitrile|Benzonitrile, 4-(1-hexyn-1-yl)-|2,5-Dihydroxy-benzoicacid|4-(1-Hexynyl)benzonitrile|4-Hex-1-ynyl-benzonitrile|1-(4-Cyanophenyl)-1-hexyne|J1.116.557E|I14-35012
CAS: 175203-91-5
| Molecular Formula | C13H13N |
|---|---|
| Molecular Weight | 183.1048 g/mol |
| LogP | 3.09998 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.1048 |
| Monoisotopic Mass | 183.1048 |
| Heavy Atoms | 14 |
| Complexity | 370.4271 |
Chemical Identifiers
| CAS Number | 175203-91-5 |
|---|---|
| SMILES | CCCCC#CC1=CC=C(C=C1)C#N |
Product Overview
4-Hex-1-ynylbenzonitrile (CAS 175203-91-5), with molecular formula C13H13N and molecular weight 183.1048 g/mol. IUPAC: 4-hex-1-ynylbenzonitrile.
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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