Vanillyl Nonanoate

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Properties Simple | Detailed

Formula C17H26O4
IUPAC Name (4-hydroxy-3-methoxy-phenyl)methyl nonanoate
Molecular Mass 294.386 g·mol−1
Heat of Formation -772.5 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 384.59 Å 3
Surface Area 370.81 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • (4-hydroxy-3-methoxyphenyl)methyl nonanoate
  • nonanoic acid (4-hydroxy-3-methoxyphenyl)methyl ester
  • pelargonic acid (4-hydroxy-3-methoxy-benzyl) ester
InChIKey VSINWHDOHWBJCS-UHFFFAOYSA-N
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Elements H C O