Benzenesulfonic acid,4-(methylamino)-, sodium salt (1:1)(CAS No. 70916-31-3)

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Benzenesulfonic acid,4-(methylamino)-, sodium salt (1:1) Benzenesulfonic acid,4-(methylamino)-, sodium salt (1:1)(CAS No. 70916-31-3) 70916-31-3

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Details:

【Name】
Benzenesulfonic acid,4-(methylamino)-, sodium salt (1:1)
【CAS Registry number】
70916-31-3
【Synonyms】
Benzenesulfonicacid, 4-(methylamino)-, monosodium salt (9CI)
【Molecular Formula】
C7H9 N O3 S . Na (Products with the same molecular formula)
【Molecular Weight】
210.20603 [g/mol]
【Inchi】
InChI=1S/C7H9NO3S.Na/c1-8-6-2-4-7(5-3-6)12(9,10)11;/h2-5,8H,1H3,(H,9,10,11);
【Canonical SMILES】
CNC1=CC=C(C=C1)S(=O)(=O)O.[Na]
【Isomers smiles】
CNC1=CC=C(C=C1)S(=O)(=O)O.[Na]
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:210.20603 [g/mol]
Molecular Formula:C7H9NNaO3S
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:210.020084
MonoIsotopic Mass:210.020084
Topological Polar Surface Area:74.8
Heavy Atom Count:13
Formal Charge:0
Complexity:224
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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