3 Hydroxycoumarin

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Properties Simple | Detailed

Formula C9H7O3+
IUPAC Name 3-hydroxychromen-2-one
Molecular Mass 163.150 g·mol−1
Heat of Formation -324.9 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 177.32 Å 3
Surface Area 177.73 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 3-hydroxy- (9ci)
  • 3-hydroxy-2-benzopyrone
  • 3-hydroxy-2-chromenone
  • 3-hydroxy-2h-1-benzopyran-2-one
  • 3-hydroxycoumarin
  • an-829/40355682
  • coumarin, 3-hydroxy-
  • sdccgmls-0066523.p001
CAS Number(s)
  • 939-19-5
InChIKey MJKVTPMWOKAVMS-UHFFFAOYSA-N
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