5-[(Methylsulfonyl)Amino]Isophthalic Acid

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Properties Simple | Detailed

Formula C9H9NO6S
IUPAC Name 5-(methanesulfonamido)benzene-1,3-dicarboxylic acid
Molecular Mass 259.236 g·mol−1
Heat of Formation -988.3 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 266.91 Å 3
Surface Area 252.53 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(methylsulfonylamino)benzene-1,3-dicarboxylic acid
  • 5-methanesulfonamidobenzene-1,3-dicarboxylic acid
  • 5-methanesulfonamidoisophthalic acid
  • t0515-7784
InChIKey RHRDZYNNRHDSCS-UHFFFAOYSA-N
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