5-Oxo-3,5-Dihydropyrazolo[1,5-C]Quinazoline-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H7N3O3
IUPAC Name 5-(2-isocyanatophenyl)pyrazole-3-carboxylic acid
Molecular Mass 229.192 g·mol−1
Heat of Formation -147.8 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 247.33 Å 3
Surface Area 237.76 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry Cs
Synonyms
  • 5,6-dihydro-5-oxo-pyrazolo(1,5-c)quinazoline-2-carboxylic acid
  • 5,6-dihydro-5-oxopyrazolo(1,5-c)quinazoline-2-carboxylic acid
  • 5-keto-3h-pyrazolo[1,5-c]quinazoline-2-carboxylic acid
  • 5-oxo-3h-pyrazolo[1,5-c]quinazoline-2-carboxylic acid
  • pyrazolo(1,5-c)quinazoline-2-carboxylic acid, 5,6-dihydro-5-oxo-
  • sq 12,903
CAS Number(s)
  • 57822-77-2
InChIKey SDXXFENNWLELLV-UHFFFAOYSA-N
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