(2S)-2-(2,5-Dihydroxyphenyl)-5-Hydroxy-6,7-Dimethoxy-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C17H16O7
IUPAC Name (2s)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chroman-4-one
Molecular Mass 332.305 g·mol−1
Heat of Formation -988.0 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 362.16 Å 3
Surface Area 324.2 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromanone
  • (2s)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chroman-4-one
  • (2s)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychroman-4-one
CAS Number(s)
  • 161748-44-3
InChIKey LJTSNTOXRSAZNS-LBPRGKRZSA-N
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