4991-22-4

Name 1,4-Benzenedicarboxylic acid, 2-sulfo-
CAS 4991-22-4
Molecular Formula C8H6O7S
MDL Number MFCD31923050
Molecular Weight 246.19
MOL File 4991-22-4.mol
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Chemical Properties

Melting point  250-258 °C
density  1.793±0.06 g/cm3(Predicted)
pka -1.51±0.30(Predicted)
InChI InChI=1S/C8H6O7S/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey RAADBCJYJHQQBI-UHFFFAOYSA-N
SMILES C1(C(O)=O)=CC=C(C(O)=O)C=C1S(O)(=O)=O

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