Oleocanthal

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Properties Simple | Detailed

Formula C17H20O5
IUPAC Name 2-(4-hydroxyphenyl)ethyl (e,3s)-4-formyl-3-(2-oxoethyl)hex-4-enoate
Molecular Mass 304.338 g·mol−1
Heat of Formation -777.3 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 376.52 Å 3
Surface Area 297.22 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3s)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid 2-(4-hydroxyphenyl)ethyl ester
  • (e,3s)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid 2-(4-hydroxyphenyl)ethyl ester
  • 2-(4-hydroxyphenyl)ethyl (e,3s)-4-formyl-3-(2-oxoethyl)hex-4-enoate
  • 2-(4-hydroxyphenyl)ethyl (e,3s)-4-methanoyl-3-(2-oxoethyl)hex-4-enoate
InChIKey VPOVFCBNUOUZGG-VAKDEWRISA-N
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Elements H C O