4-N-Hexylbiphenyl-4'-carboxylic acid

• CAS: 59662-48-5
• Catalog Number: ACM59662485
• Category: Other Products
• Molecular Weight: 282.4g/mol
• Molecular Formula: C19H22O2
• IUPAC Name: 4-(4-hexylphenyl)benzoic acid
• Canonical SMILES: CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
• InChI: InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)
• InChI Key: ROJCBWVSXWIGAL-UHFFFAOYSA-N
• Complexity: 297
• Covalently-Bonded Unit Count: 1
• Exact Mass: 282.16198g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 21
• Monoisotopic Mass: 282.16198g/mol
• Rotatable Bond Count: 7
• XLogP3: 6.7