4,4'-Biphenyldisulphonic acid

• CAS: 5314-37-4
• Catalog Number: ACM5314374
• Category: Other Products
• Molecular Weight: 314.3g/mol
• Molecular Formula: C12H10O6S2
• IUPAC Name: 4-(4-sulfophenyl)benzenesulfonic acid
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
• InChI: InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
• InChI Key: ABSXMLODUTXQDJ-UHFFFAOYSA-N
• Melting Point: 72.5 °C
• Complexity: 461
• Covalently-Bonded Unit Count: 1
• Exact Mass: 313.99188g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 20
• Monoisotopic Mass: 313.99188g/mol
• NSC Number: 6781
• Rotatable Bond Count: 3
• XLogP3: 1