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60263-88-9 | 2-[[1-(2,5-Dimethylphenyl)ethyl]sulfonyl]pyridine 1-oxide
CAS No: 60263-88-9 Catalog No: AG00EUNL MDL No:
Product Description
Catalog Number:
AG00EUNL
Chemical Name:
2-[[1-(2,5-Dimethylphenyl)ethyl]sulfonyl]pyridine 1-oxide
CAS Number:
60263-88-9
IUPAC Name:
2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxidopyridin-1-ium
InChI:
InChI=1S/C15H17NO3S/c1-11-7-8-12(2)14(10-11)13(3)20(18,19)15-6-4-5-9-16(15)17/h4-10,13H,1-3H3
InChI Key:
SMPPYMOPSFKMQX-UHFFFAOYSA-N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.365g/mol
Monoisotopic Mass:
291.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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