6'-Methoxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3'-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C21H15O8P
IUPAC Name [(1r)-6'-methoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate
Molecular Mass 426.313 g·mol−1
Heat of Formation -1336.2 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 444.74 Å 3
Surface Area 386.99 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey QWBZNOKUBXSLRE-OAQYLSRUSA-N
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