8-Methoxyphenanthro[3,4-D][1,3]Dioxole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H12O5
IUPAC Name 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Mass 296.274 g·mol−1
Heat of Formation -540.8 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 320.65 Å 3
Surface Area 289.97 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 8-methoxy-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid
  • 8-methoxyphenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid
  • aristolic acid
  • phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-
CAS Number(s)
  • 35142-05-3
InChIKey WNMKOPJJPJHXJX-UHFFFAOYSA-N
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