5-Nitroisophthalic Acid

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Properties Simple | Detailed

Formula C8H5NO6
IUPAC Name 5-nitrobenzene-1,3-dicarboxylic acid
Molecular Mass 211.128 g·mol−1
Heat of Formation -650.6 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 214.93 Å 3
Surface Area 210.28 Å 2
HOMO Energy -11.50 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,3-benzenedicarboxylic acid, 5-nitro-
  • 1-nitrobenzene-3,5-dicarboxylic acid
  • 5-nitro-1,3-benzenedicarboxylic acid
  • 5-nitro-m-phthalic acid
  • isophthalic acid, 5-nitro-
  • isophthalic acid, 5-nitro- (8ci)
CAS Number(s)
  • 618-88-2
InChIKey NBDAHKQJXVLAID-UHFFFAOYSA-N
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