4-Methyl-5-Nitrocatechol

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Properties Simple | Detailed

Formula C7H7NO4
IUPAC Name 4-methyl-5-nitro-benzene-1,2-diol
Molecular Mass 169.135 g·mol−1
Heat of Formation -324.0 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 181.82 Å 3
Surface Area 179.93 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzenediol, 4-methyl-5-nitro-
  • 4-methyl-5-nitro-pyrocatechol
  • 4-methyl-5-nitrobenzene-1,2-diol
CAS Number(s)
  • 68906-21-8
InChIKey WLLRAKCRHPMKNA-UHFFFAOYSA-N
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