4,4,4-Trifluoro-1-(furan-2-yl)butane-1,3-dione

• CAS: 326-90-9
• Catalog Number: ACM326909
• Category: Other Products
• Molecular Weight: 206.12g/mol
• Molecular Formula: C8H5F3O3
• Synonyms: 1, 4,4,4-trifluoro-1-(2-furyl)-; 1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione; SCHEMBL18863; N679; OWLPCALGCHDBCN-UHFFFAOYSA-N; ANW-27409; NSC 9186; Furonyltrifluoroacetone; ST50307008; BBL027865
• IUPAC Name: 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
• Canonical SMILES: C1=COC(=C1)C(=O)CC(=O)C(F)(F)F
• InChI: InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
• InChI Key: OWLPCALGCHDBCN-UHFFFAOYSA-N
• Storage: Refrigerator (+4°C)
• Complexity: 247
• Covalently-Bonded Unit Count: 1
• EC Number: 206-315-1
• Exact Mass: 206.019g/mol
• H-Bond Acceptor: 6
• Heavy Atom Count: 14
• Monoisotopic Mass: 206.019g/mol
• NSC Number: 9186
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 47.3A^2