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6890-59-1 | 4-Methoxy-2,6-dimethylpyridin-1-ium-1-olate
CAS No: 6890-59-1 Catalog No: AG01EWZ3 MDL No:
Product Description
Catalog Number:
AG01EWZ3
Chemical Name:
4-Methoxy-2,6-dimethylpyridin-1-ium-1-olate
CAS Number:
6890-59-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChI Key:
CMQDTHWXQUKRKA-UHFFFAOYSA-N
SMILES:
COc1cc(C)[n+](c(c1)C)[O-]
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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