(3S)-3-(3-Hydroxy-2,4-Dimethoxyphenyl)-7-Chromanol

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Properties Simple | Detailed

Formula C17H18O5
IUPAC Name (3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-ol
Molecular Mass 302.322 g·mol−1
Heat of Formation -680.1 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 349.01 Å 3
Surface Area 312.03 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-ol
  • mucronulatol
CAS Number(s)
  • 20878-97-1
InChIKey NUNFZNIXYWTZMW-LLVKDONJSA-N
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