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893740-18-6 | Methyl 5-(4-methanesulfonylphenyl)pyridine-3-carboxylate
CAS No: 893740-18-6 Catalog No: AG003XAR MDL No:MFCD06802745
Product Description
Catalog Number:
AG003XAR
Chemical Name:
Methyl 5-(4-methanesulfonylphenyl)pyridine-3-carboxylate
CAS Number:
893740-18-6
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD06802745
IUPAC Name:
methyl 5-(4-methylsulfonylphenyl)pyridine-3-carboxylate
InChI:
InChI=1S/C14H13NO4S/c1-19-14(16)12-7-11(8-15-9-12)10-3-5-13(6-4-10)20(2,17)18/h3-9H,1-2H3
InChI Key:
WPPYLEYFCLJNCH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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