Ethynyl Benzoate

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Properties Simple | Detailed

Formula C9H6O2
IUPAC Name ethynyl benzoate
Molecular Mass 146.143 g·mol−1
Heat of Formation 71.8 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 117.89 Å 3
Surface Area 129.06 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry Cs
Synonyms
  • benzoic acid ethynyl ester
InChIKey OUXAMGADSWZSFV-UHFFFAOYSA-N
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Elements H C O