4-[(2E)-3-(Methylsulfanyl)-2-Propen-1-Yl]-1,3-Benzodioxole

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Properties Simple | Detailed

Formula C11H12O2S
IUPAC Name 4-[(e)-3-methylsulfanylallyl]-1,3-benzodioxole
Molecular Mass 208.277 g·mol−1
Heat of Formation -131.8 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 250.46 Å 3
Surface Area 236.66 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey WKEWLURICRMAFQ-XVNBXDOJSA-N
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