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Substance Name: 3-Pyridinecarboxylic acid, 4-methylbenzenesulfonate (1:1)
RN: 99148-57-9
InChIKey: XTMVDYMHFQIDOH-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H8-O3-S.C6-H5-N-O2

Molecular Weight

  • 295.314
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, 4-methylbenzenesulfonate
  • 3-Pyridinecarboxylic acid, 4-methylbenzenesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 99148-57-9

Related Registry Number

  • 59-67-6 (Parent)

System Generated Number

  • 0099148579

Molecular Formulas

Molecular Formula

  • C7-H8-O3-S.C6-H5-N-O2

Molecular Formula Fragments

  • C6-H5-N-O2
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8O3S.C6H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;8-6(9)5-2-1-3-7-4-5/h2-5H,1H3,(H,8,9,10);1-4H,(H,8,9)

InChIKey

XTMVDYMHFQIDOH-UHFFFAOYSA-N

Smiles

c1c(cccn1)C(=O)O.c1(ccc(cc1)C)S(=O)(=O)O