(3S)-3-Octyl-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C16H22O2
IUPAC Name (3s)-3-octyl-3h-isobenzofuran-1-one
Molecular Mass 246.345 g·mol−1
Heat of Formation -381.2 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 326.87 Å 3
Surface Area 313.19 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-octyl-3h-isobenzofuran-1-one
InChIKey MYGRPRSFUHJZPY-HNNXBMFYSA-N
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Elements H C O