Valerylsalicylic Acid

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Properties Simple | Detailed

Formula C12H14O4
IUPAC Name 2-pentanoyloxybenzoic acid
Molecular Mass 222.237 g·mol−1
Heat of Formation -695.1 ± 16.7 kJ·mol−1
Dipole Moment 1.21 ± 1.08 D
Volume 269.85 Å 3
Surface Area 257.56 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-oxopentoxy)benzoic acid
  • 2-valeryloxybenzoic acid
  • benzoic acid, 2-((1-oxopentyl)oxy)-
  • salicylic acid, valerate
  • valeryl salicylate
  • vsa
CAS Number(s)
  • 64206-54-8
InChIKey WJHZBTMHUNVIKC-UHFFFAOYSA-N
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