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

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Properties Simple | Detailed

Formula C9H6N2O8
IUPAC Name 3-(4-nitro-5,6-dioxo-cyclohex-2-en-1-yl)oxyprop-1-ynyl nitrate
Molecular Mass 270.153 g·mol−1
Heat of Formation 597.8 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 257.7 Å 3
Surface Area 253.18 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey ILSCSWSCKLXHMV-RXMQYKEDSA-N
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