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98627-16-8 | 5-methanesulfonyl-2-methoxypyridine
CAS No: 98627-16-8 Catalog No: AG01AL8K MDL No:MFCD25969730
Product Description
Catalog Number:
AG01AL8K
Chemical Name:
5-methanesulfonyl-2-methoxypyridine
CAS Number:
98627-16-8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD25969730
IUPAC Name:
2-methoxy-5-methylsulfonylpyridine
InChI:
InChI=1S/C7H9NO3S/c1-11-7-4-3-6(5-8-7)12(2,9)10/h3-5H,1-2H3
InChI Key:
XPNAEADWDCOONK-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)S(=O)(=O)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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