Permethol

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Properties Simple | Detailed

Formula C12H10O6
IUPAC Name 2-(7-hydroxy-4-methyl-2-oxo-chromen-6-yl)oxyacetic acid
Molecular Mass 250.204 g·mol−1
Heat of Formation -922.9 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 266.31 Å 3
Surface Area 250.97 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • ((7-hydroxy-4-methyl-2-oxo-2h-1-benzopyran-6-yl)oxy)acetic acid
  • ((7-hydroxy-4-methyl-2-oxo-2h-1-benzopyran-6-yl)oxy)essigsaeure
  • (7-hydroxy-4-methyl-6-cumarinyl)oxyessigsaeure
  • 2-(7-hydroxy-2-keto-4-methyl-chromen-6-yl)oxyacetic acid
  • 2-(7-hydroxy-4-methyl-2-oxo-chromen-6-yl)oxyethanoic acid
  • 2-[(7-hydroxy-4-methyl-2-oxo-6-chromenyl)oxy]acetic acid
  • metesculetol
  • metesculetolo
  • metesculetolum [latin]
  • o-(7-hydroxy-4-methyl-6-cumarinyl)glykolsaeure
InChIKey VVDLFTOOMLZFRO-UHFFFAOYSA-N
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