Protocatachuonitrile

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Properties Simple | Detailed

Formula C7H5NO2
IUPAC Name 3,4-dihydroxybenzonitrile
Molecular Mass 135.120 g·mol−1
Heat of Formation -138.6 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 155.49 Å 3
Surface Area 162.93 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,4-dihydroxy benzonitrile
  • fr-2291
  • protocatechuonitrile
CAS Number(s)
  • 17345-61-8
InChIKey NUWHYWYSMAPBHK-UHFFFAOYSA-N
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