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4991-22-4

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4991-22-4 Structure

4991-22-4 Structure
IdentificationBack Directory
[Name]

1,4-Benzenedicarboxylic acid, 2-sulfo-
[CAS]

4991-22-4
[Synonyms]

1,4-Benzenedicarboxylic acid, 2-sulfo-
[Molecular Formula]

C8H6O7S
[MDL Number]

MFCD31923050
[MOL File]

4991-22-4.mol
[Molecular Weight]

246.19
Chemical PropertiesBack Directory
[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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