2-Methyl-4-Oxo-4H-Pyran-3-Yl Salicylate

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Properties Simple | Detailed

Formula C13H11O5+
IUPAC Name (2-methyl-4-oxo-pyran-3-yl) 2-hydroxybenzoate
Molecular Mass 247.223 g·mol−1
Heat of Formation -635.2 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 269.29 Å 3
Surface Area 252.56 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxybenzoic acid (2-methyl-4-oxo-3-pyranyl) ester
  • 2-hydroxybenzoic acid (4-keto-2-methyl-pyran-3-yl) ester
  • 2-methyl-4-oxo-4h-pyran-3-yl 2-hydroxybenzoate
  • benzoic acid, 2-hydroxy-, 2-methyl-4-oxo-4h-pyran-3-yl ester
  • salicylic acid maltol ester
CAS Number(s)
  • 147249-34-1
InChIKey KRSZHEVDRHWBEN-UHFFFAOYSA-N
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