(4Z)-1-Hydroxy-5-Methoxy-6-[2-(2,4-Pentadiynoyl)Phenyl]-4-Hexen-3-One

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Properties Simple | Detailed

Formula C18H16O4
IUPAC Name (z)-1-hydroxy-5-methoxy-6-(2-penta-2,4-diynoylphenyl)hex-4-en-3-one
Molecular Mass 296.317 g·mol−1
Heat of Formation -63.4 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 366.47 Å 3
Surface Area 313.71 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-1-hydroxy-5-methoxy-6-(2-penta-2,4-diynoylphenyl)hex-4-en-3-one
  • (z)-1-hydroxy-5-methoxy-6-[2-(1-oxopenta-2,4-diynyl)phenyl]hex-4-en-3-one
  • 1-[2-[(z)-6-hydroxy-4-keto-2-methoxy-hex-2-enyl]phenyl]penta-2,4-diyn-1-one
  • 4-hexen-3-one, 1-hydroxy-5-methoxy-6-(2-(1-oxo-2,4-pentadiynyl)phenyl)-
  • peniophorin a
CAS Number(s)
  • 75217-61-7
InChIKey VKYWDXPCKHARDA-SSZFMOIBSA-N
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