[2-(2,4-Pentadiynoyl)Phenyl]Acetic Acid

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Properties Simple | Detailed

Formula C13H8O3
IUPAC Name 2-(2-penta-2,4-diynoylphenyl)acetic acid
Molecular Mass 212.201 g·mol−1
Heat of Formation 53.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 250.27 Å 3
Surface Area 240.18 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-oxo-2,4-pentadiynl)phenylacetic acid
  • 2-(2-penta-2,4-diynoylphenyl)ethanoic acid
  • 2-[2-(1-oxopenta-2,4-diynyl)phenyl]acetic acid
  • benzeneacetic acid, 2-(1-oxo-2,4-pentadiynyl)-
  • peniophorin b
CAS Number(s)
  • 75217-62-8
InChIKey GZZLMNZSYOTUPH-UHFFFAOYSA-N
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