Catalan, Javier; De Paz, Jose Luis G.; Yanez, Manuel; Elguero, Jose published the artcile< The azoles: a theoretical study>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is MO azole; protonation azole; dipole moment azole; tautomerism azole.
Ab initio calculations were reported for 35 azoles (neutral mols. and protonated azolium salts) based on INDO optimized geometries. Calculated dipole moments agreed with measured values. Protonation sites (most basic N atoms) were determined from calculated protonation energies and N lone pair changes. Linear relations between exptl. aqueous basicity and calculated protonation energies for N-methylazoles and between exptl. aqueous acidity for N-unsubstituted azoles and the charge of the NH H atom, were observed Tautomerism of the triazoles and tetrazoles were discussed.
Chemica Scripta published new progress about Acidity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics