5-Phenylcyclohexane-1,3-dione

• Catalog Number: ACM493721
• Product Name: 5-Phenylcyclohexane-1,3-dione
• CAS: 493-72-1
• Category: Heterocyclic Organic Compound
• Synonyms: SBB061998; AC1LC3L5; ANW-30765; 6688AB; ACMC-1ANML; F0265-0877; MFCD00051846; CTK4J1268; ST24029550; 5-Phenylcyclohexane-1,3-dione
• IUPAC Name: 5-phenylcyclohexane-1,3-dione
• Molecular Weight: 188.226g/mol
• Molecular Formula: C12H12O2
• Canonical SMILES: C1C(CC(=O)CC1=O)C2=CC=CC=C2
• InChI: InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
• InChI Key: UPPYKNLSSLIIAZ-UHFFFAOYSA-N
• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Exact Mass: 188.084g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 188.084g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 34.1A^2