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1261973-40-3 | 3-Pyridinecarboxylic acid, 5-[3-(methylsulfonyl)phenyl]-
CAS No: 1261973-40-3 Catalog No: AG000S9Z MDL No:MFCD18318293
Product Description
Catalog Number:
AG000S9Z
Chemical Name:
3-Pyridinecarboxylic acid, 5-[3-(methylsulfonyl)phenyl]-
CAS Number:
1261973-40-3
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
MDL Number:
MFCD18318293
IUPAC Name:
5-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO4S/c1-19(17,18)12-4-2-3-9(6-12)10-5-11(13(15)16)8-14-7-10/h2-8H,1H3,(H,15,16)
InChI Key:
UKNZELWCEQXNDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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