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1186663-27-3 | 2-(Methylsulfonyl)-4-pyridinecarboxylic Acid
CAS No: 1186663-27-3 Catalog No: AG003F33 MDL No:MFCD12828707
Product Description
Catalog Number:
AG003F33
Chemical Name:
2-(Methylsulfonyl)-4-pyridinecarboxylic Acid
CAS Number:
1186663-27-3
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD12828707
IUPAC Name:
2-methylsulfonylpyridine-4-carboxylic acid
InChI:
InChI=1S/C7H7NO4S/c1-13(11,12)6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
InChI Key:
SSTWSIYWXZCTEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)S(=O)(=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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