3-(2-Hydroxy-2-Methyl-1,3-Benzoxazol-3(2H)-Yl)-1-Propanesulfonic Acid

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Properties Simple | Detailed

Formula C11H15NO5S
IUPAC Name 3-[(2s,3r)-2-hydroxy-2-methyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
Molecular Mass 273.306 g·mol−1
Heat of Formation -838.8 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 298.56 Å 3
Surface Area 273.91 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey QIAQLBJVKAAGSK-NSHDSACASA-N
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