In the solid state, anhydrous MoO3 is composed of layers of distorted MoO6 octahedra in an orthorhombic crystal.

Molybdenum trioxide dissolves slightly in water to give "molybdic acid".

Because of its layered structure and the ease of the Mo(VI)/Mo(V) coupling, MoO3 is of interest in electrochemical devices and displays.

It has been described as "the most commonly used TMO [transition metal oxide] in organic electronics applications ... it is evaporated at relatively low temperature (~400 °C).

"[13] It has favourable electronic and chemical properties for use as interfacing layers, p-type dopants and hole transport materials in OLEDs, organic solar cells and perovskite solar cells,[14] especially when forming an ohmic contact to organic semiconductors.