4-Ethyl-4'-ethynylbiphenyl

• CAS: 477587-89-6
• Catalog Number: ACM477587896
• Category: Other Products
• Molecular Weight: 206.28g/mol
• Molecular Formula: C16H14
• Synonyms: 1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI);4-Ethyl-4'-ethynyl-1,1'-biphenyl;4-Ethyl-4'-ethynylbiphenyl
• IUPAC Name: 1-ethyl-4-(4-ethynylphenyl)benzene
• Canonical SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C
• InChI: InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
• InChI Key: LMCBMOAZJXJAIV-UHFFFAOYSA-N
• Density: 1.03
• Complexity: 241
• Covalently-Bonded Unit Count: 1
• Exact Mass: 206.10955g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 206.10955g/mol
• Rotatable Bond Count: 3
• XLogP3: 4.6