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9-Fluorenone | C13H8O | CID 10241 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more.
9H-Fluoren-9-one. Molecular formula: C 13 H 8 O. Average mass: 180.206. Monoisotopic mass: 180.057515. ChemSpider ID: 9824.
9-Fluorenone contains total 24 bond (s); 16 non-H bond (s), 13 multiple bond (s), 1 double bond (s), 12 aromatic bond (s), 1 five-membered ring (s), 2 six-membered ring (s), 2 nine-membered ring (s), and 1 ketone (s) (aromatic). Learn more about chemical structure at Mol-Instincts.
9H-Fluoren-9-one. Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Permanent link for this species. Use this link for bookmarking this species for future reference.
Griffiths & Hine (1970) have reported the crystal structure of a bromine derivative, 2-bromo-9-fluor- enone. The present structure determination of 9-fluor- enone was undertaken to determine more accurate bond lengths and to describe the molecular packing.
How many chemical bonds and what are they in the 9-Fluorenone structure? 24 bond(s) - 16 non-H bond(s), 13 multiple bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), and 1 ketone(s) (aromatic)
The ground state geometries of 9-fluorenone with different C O out of plane bending angles were optimized at the B3LYP/6-311+G(d) level of theory. The structures were used to calculated the vertical excitation energy using the TDDFT method at the B3LYP/6-311++G(d,p) level of theory.
When F − ions were added to the solution of 9, a new red-shifted band appeared at 460 nm, accompanied by a color transition from yellow to orange-red. This modification in detection limit was attributed to hydrogen-bonded interactions among sensor 9 and F − ions.
The simplest member of the class fluoren-9-ones that is 9 H -fluorene bearing an oxo substituent at position 9. Stars. This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs. CHEBI:5111, CHEBI:14270, CHEBI:24056. Supplier Information. Download. Molfile XML SDF. Find compounds which contain this structure.
Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.