5-Pyridin-2-ylcyclohexane-1,3-dione

• Catalog Number: ACM144128790-1
• Product Name: 5-Pyridin-2-ylcyclohexane-1,3-dione
• CAS: 144128-79-0
• Category: Heterocyclic Organic Compound
• Synonyms: 5-(2-Pyridyl)cyclohexane-1,3-dione
• IUPAC Name: 5-pyridin-2-ylcyclohexane-1,3-dione
• Molecular Weight: 189.21
• Molecular Formula: C11H11NO2
• Canonical SMILES: C1C(CC(=O)CC1=O)C2=CC=CC=N2
• InChI: ZCTSQHXOYMTGLP-UHFFFAOYSA-N
• InChI Key: InChI=1S/C11H11NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12-11/h1-4,8H,5-7H2
• Boiling Point: 386.791 °C at 760 mmHg
• Flash Point: 190.696ºC
• Density: 1.206±0.06 g/cm3(Predicted)
• Exact Mass: 189.07900
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Isomeric SMILES: C1C(CC(=O)CC1=O)C2=CC=CC=N2