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Home > Pyridines > 115653-18-4
115653-18-4 | 4-Pyridinemethanesulfonic acid
CAS No: 115653-18-4 Catalog No: AG000GOA MDL No:
Product Description
Catalog Number:
AG000GOA
Chemical Name:
4-Pyridinemethanesulfonic acid
CAS Number:
115653-18-4
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
IUPAC Name:
pyridin-4-ylmethanesulfonic acid
InChI:
InChI=1S/C6H7NO3S/c8-11(9,10)5-6-1-3-7-4-2-6/h1-4H,5H2,(H,8,9,10)
InChI Key:
IULKRFPGJKVILF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)Cc1ccncc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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