Nitrocatechol

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Properties Simple | Detailed

Formula C6H5NO4
IUPAC Name 3-nitrobenzene-1,2-diol
Molecular Mass 155.108 g·mol−1
Heat of Formation -300.5 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 157.61 Å 3
Surface Area 162.11 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 3-nitropyrocatechol
CAS Number(s)
  • 6665-98-1
InChIKey YHKWFDPEASWKFQ-UHFFFAOYSA-N
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