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1122-96-9 | 4-Methoxypyridine 1-oxide
CAS No: 1122-96-9 Catalog No: AG003LP0 MDL No:MFCD00006207
Product Description
Catalog Number:
AG003LP0
Chemical Name:
4-Methoxypyridine 1-oxide
CAS Number:
1122-96-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00006207
IUPAC Name:
4-methoxy-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3
InChI Key:
BOFAIBPJCWFJFT-UHFFFAOYSA-N
SMILES:
COc1cc[n+](cc1)[O-]
EC Number:
214-367-1
NSC Number:
27964
Properties
Complexity:
79.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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