8-Hydroxy-9-Methoxy-6-Nitrophenanthro[3,4-D][1,3]Dioxole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H11NO8
IUPAC Name 8-hydroxy-9-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Mass 357.271 g·mol−1
Heat of Formation -695.3 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 358.31 Å 3
Surface Area 317.19 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methoxy-8-hydroxyaristolochic acid
  • 8-hydroxy-9-methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid
  • 8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
  • aristolochic acid e
  • phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-hydroxy-9-methoxy-6-nitro-
CAS Number(s)
  • 107259-48-3
InChIKey ZRCMNWRTDNPVFL-UHFFFAOYSA-N
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