Bicyclo[2.2.2]octane-1,4-dicarboxylicacid

• Catalog Number: ACM711024
• Product Name: Bicyclo[2.2.2]octane-1,4-dicarboxylicacid
• CAS: 711-02-4
• Category: Heterocyclic Organic Compound
• IUPAC Name: bicyclo[2.2.2]octane-1,4-dicarboxylic acid
• Molecular Weight: 198.22g/mol
• Molecular Formula: C10H14O4
• Canonical SMILES: C1CC2(CCC1(CC2)C(=O)O)C(=O)O
• InChI: InChI=1S/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)
• InChI Key: KVOACUMJSXEJQT-UHFFFAOYSA-N
• Complexity: 240
• Covalently-Bonded Unit Count: 1
• Exact Mass: 198.089209g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 198.089209g/mol
• Rotatable Bond Count: 2
• XLogP3: 0.6