1,6:3,4-Dianhydro-2,5-Dideoxyhexa-1,5-Dienitol

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Properties Simple | Detailed

Formula C6H6O2
IUPAC Name (1s,7r)-4,8-dioxabicyclo[5.1.0]octa-2,5-diene
Molecular Mass 110.111 g·mol−1
Heat of Formation -38.8 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 127.42 Å 3
Surface Area 134.76 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry Cs
InChIKey AYOXANKVWRPSRJ-OLQVQODUSA-N
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Elements H C O