Acetophenone, 2'-ethoxy-3'-methoxy- (5CI)Product NameAcetophenone, 2'-ethoxy-3'-methoxy- (5CI) CAS857566-10-0 CBNumberCB88241694 MFC11H14O3 MW194.23 MOL File857566-10-0.molChemical Properties Boiling point 163-
Also Density Functional Theory (DFT) geometry optimization and vibrational wavenumber calculation have been performed on monomer and dimer structures of 3′-MAP to analyze the experimentally observed Raman spectrum. Mulliken charge analysis has also been made on optimized geometries of 3′-MAP with ...
Density and/or relative density 1.127 g/cm3 Relative vapour density no data available Particle characteristics no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability no data available Possibility of hazardous reactions ...
CASNumber:1131-62-0 Synonyms/Related: Dimethoxyacetophenone (3 4-) Properties Boiling Point:K °C °F Flammability: Explosive Limits: Lower Explosive Limit:0% Upper Explosive Limit:0% Flammable Limits: Lower Flammable Limit:0% Upper Flammable Limit:0% ...
Density: 1.107g/cm3 Vapor Pressure: 2.58E-05mmHg at 25°C Refractive Index: 1.492 Storage Temp.: N/A Solubility: N/A CAS DataBase Reference: 2',3',4',6'-TETRAMETHOXYACETOPHENONE(CAS DataBase Reference) NIST Chemistry Reference: 2',3',4',6'-TETRAMETHOXYACETOPHENONE(7508-05-6) EPA...
The CPUE estimator from area-weighting is approximately unbiased as an index of population density; the CPUE estimator from effort-weighting is biased but less variable than the former. Conditions of similarity are derived for estimators from the two methods to be identical, or, less restrictively...
Dispersion-corrected density functional theory (DFT-D3), the quantum theory of atoms in molecules (QTAIM), the noncovalent interaction (NCI) index, the electron localization function (ELF), the localized orbital locator (LOL), and thermodynamic calculations were employed in this work. Fe(III)PPIX...
Moreover, density functional theory (DFT) method also predicted the 3-Br isomer to be more stable and favoured than the 5-Br form in acetic acid solution and also in the gas phase. Single crystals of the monobrominated acetophenone 2 were obtained and the structure of this compound was ...
Experimental and theoretical UV absorption spectra of 2-Hydroxy-3,4,6-trimethoxyacetophenone are also evaluated from time-dependent density functional theory with the purpose to analyze the energies of the most important molecular orbitals and the transitions modes for this compound. Finally, the ...