3,5-Dimethyl-1,2-cyclopentanedione

• CAS: 13494-07-0
• Catalog Number: ACM13494070
• Category: Other Products
• Molecular Weight: 126.15
• Molecular Formula: C₇H₁₀O₂
• Synonyms: 2-Cyclopentanedione,3,5-dimethyl-1
• IUPAC Name: 3,5-Dimethylcyclopentane-1,2-dione
• Canonical SMILES: CC1CC(C(=O)C1=O)C
• InChI: InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
• InChI Key: MIDXCONKKJTLDX-UHFFFAOYSA-N
• Boiling Point: 187.4±9.0 °C
• Melting Point: 87-95 °C
• Density: 1.036±0.06 g/cm³
• Solubility: Insoluble in water
• Exact Mass: 126.068079557
• Monoisotopic Mass: 126.068079557
• Odor: Odor of burnt sugar
• Physical State: Liquid
• Topological Polar Surface Area: 34.1 Ų