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14906-62-8 | Pyridine, 3-ethyl-, 1-oxide
CAS No: 14906-62-8 Catalog No: AG001LDN MDL No:MFCD18379679
Product Description
Catalog Number:
AG001LDN
Chemical Name:
Pyridine, 3-ethyl-, 1-oxide
CAS Number:
14906-62-8
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD18379679
IUPAC Name:
3-ethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChI Key:
WHLDRJCCCXVISS-UHFFFAOYSA-N
SMILES:
CCc1ccc[n+](c1)[O-]
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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