6,7-Dihydroxycoumarin

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Properties Simple | Detailed

Formula C9H7O4+
IUPAC Name 6,7-dihydroxychromen-2-one
Molecular Mass 179.149 g·mol−1
Heat of Formation -517.8 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 188.46 Å 3
Surface Area 187.54 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 6,7-dihydroxy-
  • 2h-1-benzopyran-2-one, 6,7-dihydroxy- (9ci)
  • 6,7-dihydroxy-2-benzopyrone
  • 6,7-dihydroxy-2-chromenone
  • 6,7-dihydroxy-2h-1-benzopyran-2-one
  • 6,7-dihydroxy-2h-chromen-2-one
  • aesculetin
  • asculetine
  • bpbio1_000968
  • cichorigenin
  • cichoriin aglucon
  • cichoriin aglycon
  • coumarin, 6,7-dihydroxy-
  • coumarin, 6,7-dihydroxy- esculetin
  • esculatin
  • esculetin
  • esculetol
  • esculin aglucon
  • esculin aglycon
  • oprea1_719746
  • sdccgmls-0066669.p001
  • smp2_000093
CAS Number(s)
  • 305-01-1
InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
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