5-(1H-Indol-3-Ylmethyl)-1,3-Benzodioxole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H13NO4
IUPAC Name 5-(indol-1-ium-7a-ylium-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 295.289 g·mol−1
Heat of Formation -373.1 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 328.65 Å 3
Surface Area 285.12 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey AKNDWQUYZFSAIW-UHFFFAOYSA-N
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