Methyl 6-Oxohexanoate

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Properties Simple | Detailed

Formula C7H12O3
IUPAC Name methyl 6-oxohexanoate
Molecular Mass 144.168 g·mol−1
Heat of Formation -580.0 ± 16.7 kJ·mol−1
Dipole Moment 1.12 ± 1.08 D
Volume 187.6 Å 3
Surface Area 194.42 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 3.59 ± eV
Point Group Symmetry C1
Synonyms
  • 6-ketohexanoic acid methyl ester
  • 6-oxohexanoic acid methyl ester
  • adipic semialdehyde methyl ester
  • hexanoic acid, 6-oxo-, methyl ester
  • methyl 5-formylvalerate
  • methyl adipaldehydate
CAS Number(s)
  • 6654-36-0
InChIKey FDNFXHCDOASWAY-UHFFFAOYSA-N
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Elements H C O