4-[(6R)-6-Hydroxyheptyl]-3-Methyl-2(5H)-Furanone

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Properties Simple | Detailed

Formula C12H20O3
IUPAC Name 3-[(6r)-6-hydroxyheptyl]-4-methyl-2h-furan-5-one
Molecular Mass 212.285 g·mol−1
Heat of Formation -633.3 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 284.62 Å 3
Surface Area 273.27 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(6r)-6-hydroxyheptyl]-3-methyl-5h-furan-2-one
CAS Number(s)
  • 103963-34-4
InChIKey SPMSMOKNNWFXOX-SECBINFHSA-N
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DOI
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Elements H C O