{4-[(2S)-2-Amino-2-Carboxyethyl]Phenoxy}(Fluoro)Malonic Acid

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Properties Simple | Detailed

Formula C12H12FNO7
IUPAC Name 2-[4-[(2s)-2-amino-2-carboxy-ethyl]phenoxy]-2-fluoro-propanedioic acid
Molecular Mass 301.225 g·mol−1
Heat of Formation -1356.1 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 324.45 Å 3
Surface Area 288.08 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2s)-2-amino-3-hydroxy-3-keto-propyl]phenoxy]-2-fluoro-malonic acid
  • 2-[4-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-2-fluoro-propanedioic acid
  • 2-[4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]-2-fluoropropanedioic acid
InChIKey AXIAXCQZCZMCQW-QMMMGPOBSA-N
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Elements H C F O N