6-Heptyl-3-(3-Methyl-2-Butenyl)Gentisaldehyde

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name 2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
Molecular Mass 304.424 g·mol−1
Heat of Formation -586.6 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 407.35 Å 3
Surface Area 370.8 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-heptyl-3,6-dihydroxy-5-(3-methyl-2-butenyl)benzaldehyde
  • benzaldehyde, 2-heptyl-3,6-dihydroxy-5-(3-methyl-2-butenyl)-
  • flavoglaucin
CAS Number(s)
  • 523-73-9
InChIKey RGRXZGKXEJHPQQ-UHFFFAOYSA-N
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