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Home > Pyridines > 126092-21-5
126092-21-5 | 2-Pyridinesulfonic acid, ethyl ester
CAS No: 126092-21-5 Catalog No: AG000RM5 MDL No:
Product Description
Catalog Number:
AG000RM5
Chemical Name:
2-Pyridinesulfonic acid, ethyl ester
CAS Number:
126092-21-5
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
ethyl pyridine-2-sulfonate
InChI:
InChI=1S/C7H9NO3S/c1-2-11-12(9,10)7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChI Key:
WPCNUYIIICWLKF-UHFFFAOYSA-N
SMILES:
CCOS(=O)(=O)c1ccccn1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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