(4S,5R)-5-Hydroxy-4-Methyl-3-Heptanone

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name (4s,5r)-5-hydroxy-4-methyl-heptan-3-one
Molecular Mass 144.211 g·mol−1
Heat of Formation -504.8 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 202.44 Å 3
Surface Area 193.05 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 4.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-5-hydroxy-4-methyl-heptan-3-one
  • (4s,5r)-5-hydroxy-4-methylheptan-3-one
  • 3-heptanone, 5-hydroxy-4-methyl-, (r*,s*)-
  • sitophilure
CAS Number(s)
  • 71699-35-9
InChIKey GEZUGFBWAPDBGZ-NKWVEPMBSA-N
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