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5399-63-3 | Potassium 4-carboxybenzenesulfonate
CAS No: 5399-63-3 Catalog No: AG003M0X MDL No:MFCD00007509
Product Description
Catalog Number:
AG003M0X
Chemical Name:
Potassium 4-carboxybenzenesulfonate
CAS Number:
5399-63-3
Molecular Formula:
C7H5KO5S
Molecular Weight:
240.2749
MDL Number:
MFCD00007509
IUPAC Name:
potassium;4-carboxybenzenesulfonate
InChI:
InChI=1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChI Key:
PXRJBUPXKDXDLG-UHFFFAOYSA-M
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)[O-].[K+]
EC Number:
226-435-8
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.949g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.27g/mol
Monoisotopic Mass:
239.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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