(8-Hydroxy-7-Nitro-2,3-Dihydro-1,4-Benzodioxin-2-Yl)Methyl Nitrate

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Properties Simple | Detailed

Formula C9H8N2O8
IUPAC Name [(3r)-5-hydroxy-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl nitrate
Molecular Mass 272.168 g·mol−1
Heat of Formation 599.5 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 255.96 Å 3
Surface Area 251.35 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -2.98 ± eV
Point Group Symmetry C1
InChIKey ILSCSWSCKLXHMV-RXMQYKEDSA-N
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