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Home > Pyridines > 166521-76-2
166521-76-2 | Pyridine, 2,3-dimethyl-, 1-oxide, radical ion(1+) (9CI)
CAS No: 166521-76-2 Catalog No: AG001WT7 MDL No:
Product Description
Catalog Number:
AG001WT7
Chemical Name:
Pyridine, 2,3-dimethyl-, 1-oxide, radical ion(1+) (9CI)
CAS Number:
166521-76-2
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
IUPAC Name:
2,3-dimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChI Key:
QWLULCKKOHDCIE-UHFFFAOYSA-N
SMILES:
Cc1[n+]([O-])cccc1C
EC Number:
607-142-8
Properties
Complexity:
94.9
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:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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