2-(Methylsulfanyl)-4H-1,3,2-Benzodioxaphosphinine 2-Oxide

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Properties Simple | Detailed

Formula C8H9O3PS
IUPAC Name (2r)-2-methylsulfanyl-4h-1,3,2λ5-benzodioxaphosphinine 2-oxide
Molecular Mass 216.194 g·mol−1
Heat of Formation -645.8 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 228.19 Å 3
Surface Area 216.12 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey GOAOHVJAXBHBBP-GFCCVEGCSA-N
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