Trans-2-Hexenyl Salicylate

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Properties Simple | Detailed

Formula C13H16O3
IUPAC Name [(e)-hex-2-enyl] 2-hydroxybenzoate
Molecular Mass 220.264 g·mol−1
Heat of Formation -482.6 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 276.63 Å 3
Surface Area 273.06 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-hexenyl salicylate
  • 2-hydroxybenzoic acid [(e)-hex-2-enyl] ester
  • benzoic acid, 2-hydroxy-, (2e)-2-hexenyl ester
  • benzoic acid, 2-hydroxy-, 2-hexenyl ester, (e)-
CAS Number(s)
  • 68133-77-7
InChIKey DLWPCXLFHSLSMZ-QPJJXVBHSA-N
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