Pinocembrin-7-Methyl Ether

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Properties Simple | Detailed

Formula C16H14O4
IUPAC Name (2s)-5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
Molecular Mass 270.280 g·mol−1
Heat of Formation -481.9 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 310.51 Å 3
Surface Area 285.38 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-hydroxy-7-methoxy-2-phenyl-4-chromanone
  • (2s)-5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
  • (2s)-5-hydroxy-7-methoxy-2-phenylchroman-4-one
  • (s)-2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone
  • (s)-2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-, (s)-
  • pinostrobin
CAS Number(s)
  • 480-37-5
InChIKey ORJDDOBAOGKRJV-AWEZNQCLSA-N
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