Cas no 21615-52-1 (1,4-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)sulfonyl]-)

1,4-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)sulfonyl]- structure
21615-52-1 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)sulfonyl]-
CAS No:21615-52-1
MF:C15H10O8S
MW:350.300103664398
CID:1402901
Update Time:2024-08-15

1,4-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)sulfonyl]-
    • Inchi: 1S/C15H10O8S/c16-13(17)8-1-4-10(5-2-8)24(22,23)12-7-9(14(18)19)3-6-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
    • InChI Key: ZZQLWVWUQYVDNC-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=CC=C(C(O)=O)C=C1S(C1=CC=C(C(O)=O)C=C1)(=O)=O

Computed Properties

  • Exact Mass: 350.0096

Experimental Properties

  • Density: 1.626±0.06 g/cm3(Predicted)
  • Boiling Point: 696.8±55.0 °C(Predicted)
  • PSA: 146.04
  • pka: 2.30±0.36(Predicted)
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