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Home > Pyridines > 744987-72-2
744987-72-2 | 4-cyanopyridine-2-sulfonic acid
CAS No: 744987-72-2 Catalog No: AG00LIJN MDL No:MFCD24382664
Product Description
Catalog Number:
AG00LIJN
Chemical Name:
4-cyanopyridine-2-sulfonic acid
CAS Number:
744987-72-2
Molecular Formula:
C6H4N2O3S
Molecular Weight:
184.1726
MDL Number:
MFCD24382664
IUPAC Name:
4-cyanopyridine-2-sulfonic acid
InChI:
InChI=1S/C6H4N2O3S/c7-4-5-1-2-8-6(3-5)12(9,10)11/h1-3H,(H,9,10,11)
InChI Key:
ZBKKXBDCBOQMDG-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)S(=O)(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.169g/mol
Monoisotopic Mass:
183.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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