3-[(2S)-2-Hydroxypropyl]-5-Methoxy-2-Methyl-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C11H14O4
IUPAC Name 3-[(2s)-2-hydroxypropyl]-5-methoxy-2-methyl-1,4-benzoquinone
Molecular Mass 210.226 g·mol−1
Heat of Formation -594.8 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 251.74 Å 3
Surface Area 232.38 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((2s)-2-hydroxypropyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
  • 3-[(2s)-2-hydroxypropyl]-5-methoxy-2-methyl-cyclohexa-2,5-diene-1,4-dione
  • 3-[(2s)-2-hydroxypropyl]-5-methoxy-2-methyl-p-benzoquinone
  • 3-[(2s)-2-hydroxypropyl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
  • anserinone b
CAS Number(s)
  • 190895-96-6
InChIKey UDHYZSNFKHIRSC-LURJTMIESA-N
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