Niraxostat

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Properties Simple | Detailed

Formula C16H17N3O3
IUPAC Name 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3h-pyrazol-1-ium-3-ylium-4-carboxylic acid
Molecular Mass 299.324 g·mol−1
Heat of Formation -191.7 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 365.02 Å 3
Surface Area 328.9 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-cyano-4-neopentyloxy-phenyl)pyrazole-4-carboxylic acid
  • 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-pyrazolecarboxylic acid
  • 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid
  • y-700
  • ysh
InChIKey AETHRPHBGJAIBT-UHFFFAOYSA-N
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