N-Tigloylglycine

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Properties Simple | Detailed

Formula C7H11NO3
IUPAC Name 2-[[(e)-2-methylbut-2-enoyl]amino]acetic acid
Molecular Mass 157.167 g·mol−1
Heat of Formation -566.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 196.75 Å 3
Surface Area 196.99 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(e)-2-methyl-1-oxobut-2-enyl]amino]acetic acid
  • 2-[[(e)-2-methylbut-2-enoyl]amino]acetic acid
  • 2-[[(e)-2-methylbut-2-enoyl]amino]ethanoic acid
  • glycine, n-(2-methyl-1-oxo-2-butenyl)-, (e)-
  • tiglylglycine
CAS Number(s)
  • 35842-45-6
InChIKey WRUSVQOKJIDBLP-HWKANZROSA-N
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