Ethylisodehydroacetate

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Properties Simple | Detailed

Formula C10H13O4+
IUPAC Name ethyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate
Molecular Mass 197.208 g·mol−1
Heat of Formation -699.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 229.91 Å 3
Surface Area 219.8 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid ethyl ester
  • 2,4-dimethyl-6-oxo-6h-pyran-3-carboxylic acid ethyl ester
  • 2h-pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester
  • 6-keto-2,4-dimethyl-pyran-3-carboxylic acid ethyl ester
  • ethyl 4,6-dimethyl-2-oxo-2h-pyran-5-carboxylate
  • ethyl 4,6-dimethyl-5-coumalate
  • ethyl isodehydracetate
  • ethyl isodehydroacetate
  • fr-0840
CAS Number(s)
  • 3385-34-0
InChIKey FBPWNVQUVXSXKS-UHFFFAOYSA-N
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