2-Propyn-1-Yl 4-Methoxybenzoate

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Properties Simple | Detailed

Formula C11H10O3
IUPAC Name prop-2-ynyl 4-methoxybenzoate
Molecular Mass 190.195 g·mol−1
Heat of Formation -171.5 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 187.16 Å 3
Surface Area 194.54 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-methoxy-benzoic acid prop-2-ynyl ester
  • 4-methoxybenzoic acid prop-2-ynyl ester
  • 4-methoxybenzoic acid propargyl ester
  • an-329/12136897
  • aronis020756
  • bas 00821796
  • benzoic acid, 4-methoxy-, 2-propynyl ester
  • propynyl 4-methoxybenzoate
  • propynyl p-methoxybenzoic acid
CAS Number(s)
  • 101532-23-4
InChIKey LYTIBVJBIRGRAK-UHFFFAOYSA-N
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Elements H C O