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19917-21-6 | Pyridine, 4-ethyl-3-methyl-, 1-oxide
CAS No: 19917-21-6 Catalog No: AG002BYD MDL No:
Product Description
Catalog Number:
AG002BYD
Chemical Name:
Pyridine, 4-ethyl-3-methyl-, 1-oxide
CAS Number:
19917-21-6
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
4-ethyl-3-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-3-8-4-5-9(10)6-7(8)2/h4-6H,3H2,1-2H3
InChI Key:
IBVQEUQAVPSAHW-UHFFFAOYSA-N
SMILES:
CCc1cc[n+](cc1C)[O-]
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
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