2-Hydroxy-3-[(1R)-3-Oxo-1-Phenylbutyl]-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C19H16O4
IUPAC Name 2-hydroxy-3-[(1r)-3-oxo-1-phenyl-butyl]chromen-4-one
Molecular Mass 308.328 g·mol−1
Heat of Formation -435.6 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 359.8 Å 3
Surface Area 311.72 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone
  • (r)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2h-1-benzopyran-2-one
  • (r)-warfarin
  • 2h-1-benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, (r)-
  • dextrowarfarin
  • r-warfarin
  • rwf
CAS Number(s)
  • 5543-58-8
InChIKey QTXVAVXCBMYBJW-OAHLLOKOSA-N
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Elements H C O