4-(Hydroxymethyl)-6-[(4-Nitrophenyl)Amino]-1,2,3-Cyclohexanetriol

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Formula C13H18N2O6
IUPAC Name (1r,2r,3s,4s,6s)-4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol
Molecular Mass 298.292 g·mol−1
Heat of Formation -725.5 ± 16.7 kJ·mol−1
Dipole Moment 9.20 ± 1.08 D
Volume 339.06 Å 3
Surface Area 302.9 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey JXUGHMBEWUEHHW-UYYQOPGSSA-N
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