4,5,6-Trihydroxy-3-Methyl-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C9H8O5
IUPAC Name (3r)-4,5,6-trihydroxy-3-methyl-3h-isobenzofuran-1-one
Molecular Mass 196.157 g·mol−1
Heat of Formation -753.8 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 207.76 Å 3
Surface Area 200.15 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey AGUVVAYMPQDJDX-GSVOUGTGSA-N
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