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Home > Pyridines > 141667-29-0
141667-29-0 | 2(1H)-Pyridinone, 3-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 141667-29-0 Catalog No: AG001GUJ MDL No:
Product Description
Catalog Number:
AG001GUJ
Chemical Name:
2(1H)-Pyridinone, 3-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
141667-29-0
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
IUPAC Name:
3-methoxy-1-(4-methylphenyl)sulfonylpyridin-2-one
InChI:
InChI=1S/C13H13NO4S/c1-10-5-7-11(8-6-10)19(16,17)14-9-3-4-12(18-2)13(14)15/h3-9H,1-2H3
InChI Key:
RHTONYXWNYMVLL-UHFFFAOYSA-N
SMILES:
COc1cccn(c1=O)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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