5-[(3S)-6,7-Dimethoxy-3,4-Dihydro-2H-Chromen-3-Yl]-2,3-Dimethoxy-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C19H20O7
IUPAC Name 5-[(3s)-6,7-dimethoxychroman-3-yl]-2,3-dimethoxy-1,4-benzoquinone
Molecular Mass 360.358 g·mol−1
Heat of Formation -814.0 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 406.26 Å 3
Surface Area 362.97 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 5-(3,4-dihydro-6,7-dimethoxy-2h-1-benzopyran-3-yl)-2,3-dimethoxy-, (s)-
  • 5-[(3s)-6,7-dimethoxy-3-chromanyl]-2,3-dimethoxy-1,4-benzoquinone
  • 5-[(3s)-6,7-dimethoxychroman-3-yl]-2,3-dimethoxy-1,4-benzoquinone
  • 5-[(3s)-6,7-dimethoxychroman-3-yl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione
  • 5-[(3s)-6,7-dimethoxychroman-3-yl]-2,3-dimethoxy-p-benzoquinone
  • 5-[(3s)-6,7-dimethoxychroman-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
  • abruquinone a
CAS Number(s)
  • 71593-10-7
InChIKey ILLAZKQERSVUDX-LLVKDONJSA-N
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