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140936-16-9 | Methanesulfonic acid, 1-(4-pyridinylamino)-
CAS No: 140936-16-9 Catalog No: AG001FNQ MDL No:
Product Description
Catalog Number:
AG001FNQ
Chemical Name:
Methanesulfonic acid, 1-(4-pyridinylamino)-
CAS Number:
140936-16-9
Molecular Formula:
C6H8N2O3S
Molecular Weight:
188.2043
IUPAC Name:
(pyridin-4-ylamino)methanesulfonic acid
InChI:
InChI=1S/C6H8N2O3S/c9-12(10,11)5-8-6-1-3-7-4-2-6/h1-4H,5H2,(H,7,8)(H,9,10,11)
InChI Key:
NORWOPUPWSHZAH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CNc1ccncc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.201g/mol
Monoisotopic Mass:
188.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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