7-Hydroxy-6-[(2S)-2-(Hydroxymethyl)Butoxy]-4-Methyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C15H19O5+
IUPAC Name 7-hydroxy-6-[(2s)-2-(hydroxymethyl)butoxy]-4-methyl-chromen-2-one
Molecular Mass 279.308 g·mol−1
Heat of Formation -801.7 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 327.91 Å 3
Surface Area 297.11 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 7-hydroxy-4-methyl-6-[(2s)-2-methylolbutoxy]coumarin
  • 7-hydroxy-6-[(2s)-2-(hydroxymethyl)butoxy]-4-methyl-2-chromenone
  • 7-hydroxy-6-[(2s)-2-(hydroxymethyl)butoxy]-4-methyl-chromen-2-one
  • 7-hydroxy-6-[(2s)-2-(hydroxymethyl)butoxy]-4-methylchromen-2-one
InChIKey TWRDEZTXYNRWDN-JTQLQIEISA-N
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Elements H C O