Cycloheptane-1,3-dione

• Catalog Number: ACM1194189
• Product Name: Cycloheptane-1,3-dione
• CAS: 1194-18-9
• Category: Heterocyclic Organic Compound
• IUPAC Name: cycloheptane-1,3-dione
• Molecular Weight: 126.155g/mol
• Molecular Formula: C7H10O2
• Canonical SMILES: C1CCC(=O)CC(=O)C1
• InChI: InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
• InChI Key: DBOVMTXPZWVYAQ-UHFFFAOYSA-N
• Complexity: 122
• Covalently-Bonded Unit Count: 1
• Exact Mass: 126.068g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 9
• Monoisotopic Mass: 126.068g/mol
• Topological Polar Surface Area: 34.1A^2