Tert-Butyl 3-Isocyanopropanoate

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Properties Simple | Detailed

Formula C8H13NO2
IUPAC Name tert-butyl 3-isocyanopropanoate
Molecular Mass 155.194 g·mol−1
Heat of Formation -310.0 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 214.45 Å 3
Surface Area 204.31 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 4.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-isocyanopropanoic acid tert-butyl ester
  • 3-isocyanopropionic acid tert-butyl ester
  • beta-alanine tert-butyl ester isocyanide
  • tert-butyl 3-isocyanopropionate
InChIKey KGVVZBHXRXWANI-UHFFFAOYSA-N
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