2-[(3R)-7-Hydroxy-3,4-Dihydro-2H-Chromen-3-Yl]-5-Methoxy-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name 2-[(3r)-7-hydroxychroman-3-yl]-5-methoxy-1,4-benzoquinone
Molecular Mass 286.279 g·mol−1
Heat of Formation -565.6 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 320.84 Å 3
Surface Area 293.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-claussequinone
  • 2-[(3r)-7-hydroxy-3-chromanyl]-5-methoxy-1,4-benzoquinone
  • 2-[(3r)-7-hydroxychroman-3-yl]-5-methoxy-1,4-benzoquinone
  • 2-[(3r)-7-hydroxychroman-3-yl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione
  • 2-[(3r)-7-hydroxychroman-3-yl]-5-methoxy-p-benzoquinone
  • 2-[(3r)-7-hydroxychroman-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
  • 3r-claussequinone
CAS Number(s)
  • 35878-39-8
InChIKey PDAKXMIQFUHWQC-JTQLQIEISA-N
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