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Home > Pyridines > 2098851-55-7
2098851-55-7 | lithium(1+) ion 6-methoxypyridine-3-sulfinate
CAS No: 2098851-55-7 Catalog No: AG01EK3E MDL No:MFCD31617336
Product Description
Catalog Number:
AG01EK3E
Chemical Name:
lithium(1+) ion 6-methoxypyridine-3-sulfinate
CAS Number:
2098851-55-7
Molecular Formula:
C6H6LiNO3S
Molecular Weight:
179.1227
MDL Number:
MFCD31617336
IUPAC Name:
lithium;6-methoxypyridine-3-sulfinate
InChI:
InChI=1S/C6H7NO3S.Li/c1-10-6-3-2-5(4-7-6)11(8)9;/h2-4H,1H3,(H,8,9);/q;+1/p-1
InChI Key:
YMEHYHQWAIVEHB-UHFFFAOYSA-M
SMILES:
COc1ccc(cn1)S(=O)[O-].[Li+]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.118g/mol
Monoisotopic Mass:
179.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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