2-{[(4-Methoxyphenyl)Acetyl]Amino}Acrylic Acid

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Properties Simple | Detailed

Formula C12H13NO4
IUPAC Name 2-[[2-(4-methoxyphenyl)acetyl]amino]prop-2-enoic acid
Molecular Mass 235.236 g·mol−1
Heat of Formation -567.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 281.07 Å 3
Surface Area 263.27 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(4-methoxyphenyl)ethanoylamino]prop-2-enoic acid
  • 2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]prop-2-enoic acid
  • 2-[[2-(4-methoxyphenyl)acetyl]amino]acrylic acid
  • 2-propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
  • ad 5
  • ad-5
  • n-(4-methoxyphenylacetyl)dehydroalanine
  • paramethoxyphenyl-acetyl dehydroalanine
CAS Number(s)
  • 92455-12-4
InChIKey DNBSASOCQLUZFR-UHFFFAOYSA-N
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