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14474-56-7 | Pyridine, 4-ethoxy-, 1-oxide
CAS No: 14474-56-7 Catalog No: AG001K2J MDL No:
Product Description
Catalog Number:
AG001K2J
Chemical Name:
Pyridine, 4-ethoxy-, 1-oxide
CAS Number:
14474-56-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
4-ethoxy-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO2/c1-2-10-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChI Key:
OWDMBYMZBXLZFT-UHFFFAOYSA-N
SMILES:
CCOc1cc[n+](cc1)[O-]
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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