4-Ethynyl-4'-pentyl-1,1'-biphenyl

• CAS: 80563-43-5
• Catalog Number: ACM80563435
• Category: Other Products
• Molecular Weight: 248.4g/mol
• Molecular Formula: C19H20
• IUPAC Name: 1-ethynyl-4-(4-pentylphenyl)benzene
• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C
• InChI: InChI=1S/C19H20/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h2,8-15H,3,5-7H2,1H3
• InChI Key: SVHXPGWTCYKGGU-UHFFFAOYSA-N
• Complexity: 278
• Covalently-Bonded Unit Count: 1
• Exact Mass: 248.156501g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 248.156501g/mol
• Rotatable Bond Count: 6
• XLogP3: 6.2