Isocoumarin, 3,4-Dihydro-8-Hydroxy-6-Methoxy-3-Methyl-, (R)-(-)-

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Properties Simple | Detailed

Formula C11H12O4
IUPAC Name (3r)-8-hydroxy-6-methoxy-3-methyl-isochroman-1-one
Molecular Mass 208.211 g·mol−1
Heat of Formation -673.1 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 234.99 Å 3
Surface Area 225.6 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-8-hydroxy-6-methoxy-3-methyl-1-isochromanone
  • (3r)-8-hydroxy-6-methoxy-3-methyl-isochroman-1-one
  • (3r)-8-hydroxy-6-methoxy-3-methylisochroman-1-one
  • 2,4-dihydro-8-hydroxy-6-methoxy-3-methyl-1h-2-benzopyran-1-one
  • 6-methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin
  • 6-methoxymellein
  • 6-mhmd-isocoumarin
  • 8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one
CAS Number(s)
  • 6803-02-7
  • 13410-15-6
InChIKey AIFNAMVERSBWPS-ZCFIWIBFSA-N
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