4-Nitrocatechol

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Properties Simple | Detailed

Formula C6H5NO4
IUPAC Name 4-nitrobenzene-1,2-diol
Molecular Mass 155.108 g·mol−1
Heat of Formation -286.6 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 162.47 Å 3
Surface Area 165.51 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-dihydroxy-4-nitrobenzene
  • 4-(dihydroxyamino)benzene-1,2-diol
  • 4-(dihydroxyamino)pyrocatechol
  • 4-nitropyrocatechol
  • 4nc
  • xx2
CAS Number(s)
  • 3316-09-4
InChIKey XJNPNXSISMKQEX-UHFFFAOYSA-N
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