2-[(8S)-2-Oxo-8,9-Dihydro-2H-Furo[2,3-H]Chromen-8-Yl]-2-Propanyl Acetate

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Properties Simple | Detailed

Formula C16H16O5
IUPAC Name [1-methyl-1-[(8s)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]ethyl] acetate
Molecular Mass 288.295 g·mol−1
Heat of Formation -763.0 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 331.56 Å 3
Surface Area 296.23 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(8s)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl acetate
  • 2-[(8s)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl ethanoate
  • 2h-furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (s)-
  • [1-methyl-1-[(8s)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] acetate
  • acetic acid [1-[(8s)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester
  • acetic acid [1-methyl-1-[(8s)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester
  • o-acetylcolumbianetin
CAS Number(s)
  • 23180-65-6
InChIKey IQTTZQQJJBEAIM-ZDUSSCGKSA-N
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