• reagents (array
  • code (string): code from internal or external database
  • seq (int)
  • iupac (string): IUPAC name
  • mf (string): molecular formula
  • mw (number, u): molecular mass in Dalton
  • purity (string): mass purity or concentration. This is could either be the mass purity as specified by the supplier in % or the concentration mol/L
  • density (number)
  • g (number, g): mass
  • ml (number, mL): volume
  • mmoles (number, mmol): amount of substance
  • equivalent (number)
  • rn (string): CAS number
  • ocl (object):
    • value
    • coordinates
    • index (array)