7-Hydroxy-4-Methyl-3-(2-Hydroxy-Ethyl)Coumarin

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Properties Simple | Detailed

Formula C12H13O4+
IUPAC Name 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-chromen-2-one
Molecular Mass 221.229 g·mol−1
Heat of Formation -592.1 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 252.67 Å 3
Surface Area 235.24 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2-chromenone
  • 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-coumarin
  • 7-hydroxy-3-(2-hydroxyethyl)-4-methylchromen-2-one
  • ae-406/41057126
  • hom
InChIKey VCGFYFKJZGIZMX-UHFFFAOYSA-N
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