2-(4-Sulfophenyl)Butyric Acid

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Properties Simple | Detailed

Formula C10H6O5S
IUPAC Name 3-(dioxido-λ4-sulfanylidene)-6-[1-(oxomethylene)prop-2-ynyl]cyclohex-4-ene-1,2-dione
Molecular Mass 238.217 g·mol−1
Heat of Formation 565.3 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 232.48 Å 3
Surface Area 227.22 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry Cs
InChIKey UBOLIQIJRBLRGQ-UHFFFAOYSA-N
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Elements C S O