(2S)-2-{[(2E)-3-(4-Chlorophenyl)-2-Propenoyl]Oxy}Propanoic Acid

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Properties Simple | Detailed

Formula C12H11ClO4
IUPAC Name (2s)-2-[(e)-3-(4-chlorophenyl)prop-2-enoyl]oxypropanoic acid
Molecular Mass 254.666 g·mol−1
Heat of Formation -627.9 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 284.21 Å 3
Surface Area 274.15 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(e)-3-(4-chlorophenyl)-1-oxoprop-2-enoxy]propanoic acid
  • (2s)-2-[(e)-3-(4-chlorophenyl)acryloyl]oxypropionic acid
  • (2s)-2-[(e)-3-(4-chlorophenyl)prop-2-enoyl]oxypropanoic acid
  • 2-propenoic acid, 3-(4-chlorophenyl)-, 1-carboxyethyl ester, (s-(e))-
  • ccpl
  • o-(4-chlorocinnamoyl)phenyllactate
  • o-(trans-para-chlorocinnamoyl)phenyllactate
CAS Number(s)
  • 99473-64-0
InChIKey FDRHXXQUUFPDKT-IPWDFOCMSA-N
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Elements H C O Cl