Ethyl Coumarin-3-Carbaoxylate

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Properties Simple | Detailed

Formula C12H10O4
IUPAC Name ethyl 2-oxochromene-3-carboxylate
Molecular Mass 218.205 g·mol−1
Heat of Formation -524.2 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 245.93 Å 3
Surface Area 238.52 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester
  • 2-ketochromene-3-carboxylic acid ethyl ester
  • 2-oxo-2h,1-benzopyran-3-carboxylic acid, ethyl ester
  • 2-oxo-3-chromenecarboxylic acid ethyl ester
  • 2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
  • 3-carbethoxycoumarin
  • 3-ethoxycarbonylcoumarin
  • coumarin-3-carboxylic acid ethyl ester
  • ethyl 3-coumarincarboxylate
  • ethyl coumarin-3-carboxylate
  • propionic acid 2-oxo-2h-chromen-3-yl ester
  • sdccgmls-0065851.p001
CAS Number(s)
  • 1846-76-0
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
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