8-Hydroxy-3-(Hydroxymethyl)-6-Methoxy-1H-Isochromen-1-One

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Properties Simple | Detailed

Formula C11H11O5+
IUPAC Name 8-hydroxy-3-(hydroxymethyl)-6-methoxy-isochromen-1-one
Molecular Mass 223.202 g·mol−1
Heat of Formation -730.2 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 239.85 Å 3
Surface Area 232.67 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzopyran-1-one, 8-hydroxy-3-(hydroxymethyl)-6-methoxy-
  • 8-hydroxy-3-(hydroxymethyl)-6-methoxy-1-isochromenone
  • 8-hydroxy-3-(hydroxymethyl)-6-methoxy-1h-2-benzopyran-1-one
  • 8-hydroxy-3-(hydroxymethyl)-6-methoxyisochromen-1-one
  • 8-hydroxy-6-methoxy-3-methylol-isochromen-1-one
  • cytogenin
CAS Number(s)
  • 132971-59-6
InChIKey CAWNOJXNAUEIGB-UHFFFAOYSA-N
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Elements H C O