• 
  [Synonyms]
  5-Nitroisophthalic acid
  Isophthalic acid, 5-nitro-
  5-NITRO-M-PHTHALIC ACID
  N18005_ALDRICH
  36613_RIEDEL
  73450_FLUKA
  1,3-Benzenedicarboxylic acid, 5-nitro-
  1-Nitrobenzene-3,5-dicarboxylic acid
  5-Nitro-1,3-benzenedicarboxylic acid
  AIDS019417
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	211.1284 [g/mol]
  Molecular Formula	C8H5NO6
  XLogP	1.1
  H-Bond Donor	2
  H-Bond Acceptor	6
  Rotatable Bond Count	2
  Exact Mass	211.011687
  MonoIsotopic Mass	211.011687
  Topological Polar Surface Area	118
  Heavy Atom Count	15
  Formal Charge	0
  Complexity	274
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid
  Canonical SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
  InChI: InChI=1/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,
  11)(H,12,13)/f/h10,12H