Home Sulfos 2-Pyridinesulfonic acid, 3-methyl-, hydrate (1:1)

2-Pyridinesulfonic acid, 3-methyl-, hydrate (1:1)

CAS No.:
1914148-55-2
Catalog Number:
AG002F86
Molecular Formula:
C6H9NO4S
Molecular Weight:
191.2050
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Product Description
Catalog Number:
AG002F86
Chemical Name:
2-Pyridinesulfonic acid, 3-methyl-, hydrate (1:1)
CAS Number:
1914148-55-2
Molecular Formula:
C6H9NO4S
Molecular Weight:
191.2050
MDL Number:
MFCD04114107
IUPAC Name:
3-methylpyridine-2-sulfonic acid;hydrate
InChI:
InChI=1S/C6H7NO3S.H2O/c1-5-3-2-4-7-6(5)11(8,9)10;/h2-4H,1H3,(H,8,9,10);1H2
InChI Key:
RSQIMDKJHKOOQW-UHFFFAOYSA-N
SMILES:
Cc1cccnc1S(=O)(=O)O.O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.201g/mol
Monoisotopic Mass:
191.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties