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74409-42-0

74409-42-0 | 2,3,5-Trimethylpyridine N-oxide

CAS No: 74409-42-0 Catalog No: AG0036LS MDL No:MFCD00126841

Product Description

Catalog Number:
AG0036LS
Chemical Name:
2,3,5-Trimethylpyridine N-oxide
CAS Number:
74409-42-0
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00126841
IUPAC Name:
2,3,5-trimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-6-4-7(2)8(3)9(10)5-6/h4-5H,1-3H3
InChI Key:
YSBDSWBSEXCSSE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c([n+](c1)[O-])C
EC Number:
616-091-0

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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