Ethyl 4-Hydroxy-1-(Hydroxymethyl)-5,7-Dimethylphthalazine-6-Carboxylate

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Properties Simple | Detailed

Formula C14H16N2O4
IUPAC Name ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3h-phthalazine-6-carboxylate
Molecular Mass 276.288 g·mol−1
Heat of Formation -598.3 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 319.03 Å 3
Surface Area 288.02 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey DUQOOLBWGUKRAJ-UHFFFAOYSA-O
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