1,1-Cyclobutanedicarboxylic Acid

• CAS: 5445-51-2
• Catalog Number: ACM-MO-5445512
• Category: Other Products; Dicarboxylic Acid Monomers
• Molecular Weight: 144.13 g/mol
• Molecular Formula: C6H8O4
• IUPAC Name: cyclobutane-1,1-dicarboxylic acid
• Canonical SMILES: C1CC(C1)(C(=O)O)C(=O)O
• InChI: InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
• InChI Key: CCQPAEQGAVNNIA-UHFFFAOYSA-N
• Melting Point: 158 °C
• Appearance: White to Almost White Powder to Crystal
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• EC Number: 226-651-2
• Exact Mass: 144.042259g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 144.042259g/mol
• NSC Number: 22073
• Physical State: Solid
• Rotatable Bond Count: 2
• XLogP3: 0.4