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4329-93-5 | 1-METHYLPYRIDINIUM-2-SULFONATE
CAS No: 4329-93-5 Catalog No: AG00DZK1 MDL No:MFCD00775931
Product Description
Catalog Number:
AG00DZK1
Chemical Name:
1-METHYLPYRIDINIUM-2-SULFONATE
CAS Number:
4329-93-5
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD00775931
IUPAC Name:
1-methylpyridin-1-ium-2-sulfonate
InChI:
InChI=1S/C6H7NO3S/c1-7-5-3-2-4-6(7)11(8,9)10/h2-5H,1H3
InChI Key:
YBNCNAMRNBKKMS-UHFFFAOYSA-N
SMILES:
C[n+]1ccccc1S(=O)(=O)[O-]
Properties
Complexity:
205
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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