Methyl (2E)-4-(Methylamino)-4-Oxo-2-Buten-2-Yl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C6H12NO5P
IUPAC Name methyl [(e)-1-methyl-3-(methylamino)-3-oxo-prop-1-enyl] hydrogen phosphate
Molecular Mass 209.137 g·mol−1
Heat of Formation -1194.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 230.91 Å 3
Surface Area 228.26 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • [(e)-3-keto-1-methyl-3-methylamino-prop-1-enyl] methyl hydrogen phosphate
  • methyl [(e)-1-methyl-3-methylamino-3-oxo-prop-1-enyl] hydrogen phosphate
  • methyl [(e)-1-methyl-3-methylamino-3-oxoprop-1-enyl] hydrogen phosphate
  • methyl [(e)-4-methylamino-4-oxo-but-2-en-2-yl] hydrogen phosphate
  • methyl [(e)-4-methylamino-4-oxobut-2-en-2-yl] hydrogen phosphate
InChIKey SBZAFHSOQLENTI-SNAWJCMRSA-N
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