3-Phenylpropyl Salicylate

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Properties Simple | Detailed

Formula C16H16O3
IUPAC Name 3-phenylpropyl 2-hydroxybenzoate
Molecular Mass 256.296 g·mol−1
Heat of Formation -374.4 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 314.61 Å 3
Surface Area 299.91 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxybenzoic acid 3-phenylpropyl ester
  • 3-phenylpropylsalicylate
  • benzoic acid, 2-hydroxy-, 3-phenylpropyl ester
  • propanol, 3-phenyl-, salicylate
  • s 22
  • salicylic acid, 3-phenylpropyl ester
CAS Number(s)
  • 24781-13-3
InChIKey GMHNYYKDPGWAJR-UHFFFAOYSA-N
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