(1S)-1-(4-Acetoxyphenyl)-2-Propen-1-Yl Acetate

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Properties Simple | Detailed

Formula C13H14O4
IUPAC Name [4-[(1s)-1-acetoxyallyl]phenyl] acetate
Molecular Mass 234.248 g·mol−1
Heat of Formation -600.3 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 285.88 Å 3
Surface Area 271.99 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
  • (alphas)-4-(acetyloxy)-alpha-ethenylbenzenemethanol
  • 1'-acetoxychavicol acetate
  • 1's-1'-acetoxychavicol acetate
  • [4-[(1s)-1-acetoxyprop-2-enyl]phenyl] acetate
  • [4-[(1s)-1-acetyloxyprop-2-enyl]phenyl] acetate
  • [4-[(1s)-1-acetyloxyprop-2-enyl]phenyl] ethanoate
  • acetic acid [4-[(1s)-1-acetoxyprop-2-enyl]phenyl] ester
  • benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (.alpha.s)-
  • benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-, acetate, (s)-
CAS Number(s)
  • 52946-22-2
InChIKey JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
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