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768-44-5

768-44-5 | 5-ethyl-2-methyl-1-oxido-pyridine

CAS No: 768-44-5 Catalog No: AG005888 MDL No:MFCD01704370

Product Description

Catalog Number:
AG005888
Chemical Name:
5-ethyl-2-methyl-1-oxido-pyridine
CAS Number:
768-44-5
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD01704370
IUPAC Name:
5-ethyl-2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-3-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3
InChI Key:
NUDXKJOCNHFUEZ-UHFFFAOYSA-N
SMILES:
CCc1ccc([n+](c1)[O-])C
UNII:
UH0QU2859J
NSC Number:
4252

Properties

Complexity:
105  
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:
1  
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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