(3R)-6,8-Dihydroxy-3-Methyl-3,4-Dihydro-1H-Isochromen-1-One

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Properties Simple | Detailed

Formula C10H10O4
IUPAC Name (3r)-6,8-dihydroxy-3-methyl-isochroman-1-one
Molecular Mass 194.184 g·mol−1
Heat of Formation -692.6 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 214.04 Å 3
Surface Area 206.42 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-6,8-dihydroxy-3-methyl-1-isochromanone
  • (3r)-6,8-dihydroxy-3-methyl-isochroman-1-one
  • (3r)-6,8-dihydroxy-3-methylisochroman-1-one
  • (r)-3,4-dihydro-6,8-dihydroxy-3-methyl-1h-2-benzopyran-1-one
  • 1h-2-benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-methyl-, (r)-
  • 3,4-dihydro-6,8-dihydroxy-3-methylisocoumarin
  • 6,8-dihydroxy-3-methyl-3,4-dihydroisocoumarin
  • 6-hydroxymellein
CAS Number(s)
  • 70901-60-9
InChIKey DHLPMLVSBRRUGA-RXMQYKEDSA-N
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