3-Methyl-2-Buten-1-Yl Salicylate

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Properties Simple | Detailed

Formula C12H14O3
IUPAC Name 3-methylbut-2-enyl 2-hydroxybenzoate
Molecular Mass 206.238 g·mol−1
Heat of Formation -444.1 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 256.88 Å 3
Surface Area 250.85 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-buten-1-ol, 3-methyl-, salicylate
  • 2-hydroxybenzoic acid 3-methylbut-2-enyl ester
  • 3-methyl-2-butenyl salicylate
  • benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester
  • prenyl salicylate
CAS Number(s)
  • 68555-58-8
InChIKey MCAYDAOGSVHGEE-UHFFFAOYSA-N
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