Phenylpropiolic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H6O2
IUPAC Name 3-phenylprop-2-ynoic acid
Molecular Mass 146.143 g·mol−1
Heat of Formation -24.8 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 175.27 Å 3
Surface Area 185.88 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-propynoic acid, 3-phenyl-
  • 3-phenylpropiolic acid
  • 3-phenylpropynoic acid
  • ad-266/40164861
  • phenylacetylene monocarboxylic acid
  • phenylacetylenecarboxylic acid
  • phenylpropynoic acid
  • propiolic acid, 3-phenyl-
  • propiolic acid, phenyl-
  • propiolic acid, phenyl- (8ci)
CAS Number(s)
  • 637-44-5
InChIKey XNERWVPQCYSMLC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O