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14045-23-9 | 4-Pyridinesulfonic acid, 3-methyl-
CAS No: 14045-23-9 Catalog No: AG001CGF MDL No:MFCD04114234
Product Description
Catalog Number:
AG001CGF
Chemical Name:
4-Pyridinesulfonic acid, 3-methyl-
CAS Number:
14045-23-9
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD04114234
IUPAC Name:
3-methylpyridine-4-sulfonic acid
InChI:
InChI=1S/C6H7NO3S/c1-5-4-7-3-2-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
InChI Key:
YLZRQBQLRFXQPL-UHFFFAOYSA-N
SMILES:
Cc1cnccc1S(=O)(=O)O
Properties
Complexity:
219
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:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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