4-(6-Hydroxy-1,2-Benzoxazol-3-Yl)-1,3-Benzenediol

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Properties Simple | Detailed

Formula C13H9NO4
IUPAC Name 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
Molecular Mass 243.215 g·mol−1
Heat of Formation -319.8 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 261.2 Å 3
Surface Area 246.15 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey NBTXJDAHLMMIGY-UHFFFAOYSA-N
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