3-(1,1-Dimethyl-Heptyl)-1-Hydroxy-9-Methoxy-Benzo(C)Chromen-6-One

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Properties Simple | Detailed

Formula C23H28O4
IUPAC Name 3-(1,1-dimethylheptyl)-1-hydroxy-9-methoxy-benzo[c]chromen-6-one
Molecular Mass 368.466 g·mol−1
Heat of Formation -683.2 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 457.16 Å 3
Surface Area 398.51 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]isochromen-6-one
  • 3-(1,1-dimethylheptyl)-1-hydroxy-9-methoxy-6-benzo[c]isochromenone
  • 3-(1,1-dimethylheptyl)-1-hydroxy-9-methoxy-benzo[c]isochromen-6-one
InChIKey ZAIKPEWFCSQNQB-UHFFFAOYSA-N
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