10-Hydroxy-6-Nitrophenanthro[3,4-D][1,3]Dioxole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H9NO7
IUPAC Name 10-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Mass 327.245 g·mol−1
Heat of Formation -569.0 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 326.82 Å 3
Surface Area 290.92 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 10-hydroxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid
  • 10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • aristolochiac acid c
  • aristolochic acid c
  • phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-hydroxy-6-nitro-
  • phenanthro(3,4-d)-1,3-dioxole-5-carboxylic aicd, 10-hydroxy-6-nitro-
CAS Number(s)
  • 4849-90-5
InChIKey NBFGYDJKTHENDP-UHFFFAOYSA-N
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