2-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Amino]Acrylic Acid

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Properties Simple | Detailed

Formula C11H13N2O7P
IUPAC Name 2-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]prop-2-enoic acid
Molecular Mass 316.204 g·mol−1
Heat of Formation -1354.9 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 334.72 Å 3
Surface Area 298.2 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey BHIGINKEEFZJGX-YIXHJXPBSA-N
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