Allomaltol

Molecule SVG Image

Properties Simple | Detailed

Formula C6H6O3
IUPAC Name 5-hydroxy-2-methyl-pyran-4-one
Molecular Mass 126.110 g·mol−1
Heat of Formation -380.0 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 142.88 Å 3
Surface Area 151.09 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 4h-pyran-4-one, 5-hydroxy-2-methyl-
  • 5-hydroxy-2-methyl-.gamma.-pyrone
  • 5-hydroxy-2-methyl-4-pyranone
  • 5-hydroxy-2-methyl-4h-pyran-4-one
  • 5-hydroxy-2-methylpyran-4-one
  • 6x-0801
  • kojic acid, .alpha.-deoxy-
CAS Number(s)
  • 644-46-2
InChIKey IQXWFHDFTAZGNB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O