3,6-Bis(Hydroxymethyl)-2-Methyl-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C8H10O4
IUPAC Name 3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one
Molecular Mass 170.163 g·mol−1
Heat of Formation -628.7 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 196.53 Å 3
Surface Area 194.14 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-3,6-dimethylol-pyran-4-one
  • 3,6-bis(hydroxymethyl)-2-methyl-4-pyranone
  • 3,6-bis(hydroxymethyl)-2-methylpyran-4-one
  • 4h-pyran-4-one, 3,6-bis(hydroxymethyl)-2-methyl-
  • 6-methyl-2,5-dihydroxymethyl-gamma pyranone
  • 6-methyl-2,5-dihydroxymethyl-gamma-pyranone iii
  • herierin iii
CAS Number(s)
  • 131123-56-3
InChIKey FEEAMUNPZANTSE-UHFFFAOYSA-N
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