3-Acetylcoumarin

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Properties Simple | Detailed

Formula C11H8O3
IUPAC Name 3-acetylchromen-2-one
Molecular Mass 188.179 g·mol−1
Heat of Formation -319.3 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 213.5 Å 3
Surface Area 208.78 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 3-acetyl-
  • 2h-1-benzopyran-2-one, 3-acetyl- (9ci)
  • 3-acetyl-2-chromenone
  • 3-ethanoylchromen-2-one
  • bpbio1_000774
  • coumarin, 3-acetyl-
CAS Number(s)
  • 3949-36-8
InChIKey CSPIFKKOBWYOEX-UHFFFAOYSA-N
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