2-Hydroxy-4-Methoxy-3-(3-Methyl-2-Buten-1-Yl)-6-Pentylbenzoic Acid

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Properties Simple | Detailed

Formula C18H26O4
IUPAC Name 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentyl-benzoic acid
Molecular Mass 306.397 g·mol−1
Heat of Formation -796.5 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 397.2 Å 3
Surface Area 355.57 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid
  • 6-amyl-2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)benzoic acid
  • acon1_001887
InChIKey UJSSSFNGQWZNEN-UHFFFAOYSA-N
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