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86604-80-0 | 2,3,5-Trimethyl-4-methoxypyridine N-oxide
CAS No: 86604-80-0 Catalog No: AG0036DK MDL No:MFCD02093099
Product Description
Catalog Number:
AG0036DK
Chemical Name:
2,3,5-Trimethyl-4-methoxypyridine N-oxide
CAS Number:
86604-80-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD02093099
IUPAC Name:
4-methoxy-2,3,5-trimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C9H13NO2/c1-6-5-10(11)8(3)7(2)9(6)12-4/h5H,1-4H3
InChI Key:
JOXZAMWCPXYFKC-UHFFFAOYSA-N
SMILES:
COc1c(C)c[n+](c(c1C)C)[O-]
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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