1,3-Benzodioxole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C8H6O4
IUPAC Name 1,3-benzodioxole-4-carboxylic acid
Molecular Mass 166.131 g·mol−1
Heat of Formation -522.9 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 175.01 Å 3
Surface Area 176.47 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • ae-641/00552029
CAS Number(s)
  • 5768-39-8
InChIKey DBUAYOWCIUQXQW-UHFFFAOYSA-N
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Elements H C O