1-Hydroxy-3-Hexanone

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Properties Simple | Detailed

Formula C6H12O2
IUPAC Name 1-hydroxyhexan-3-one
Molecular Mass 116.158 g·mol−1
Heat of Formation -462.6 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 156.57 Å 3
Surface Area 165.03 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy 3.57 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxymethyl isobutyl ketone
  • hmik
  • hydroxymethylpentanone
  • pentanone, hydroxymethyl-
CAS Number(s)
  • 77110-34-0
InChIKey ITHSWIXXHGKFJW-UHFFFAOYSA-N
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Elements H C O