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Home > Nitro Compounds > 100047-40-3
100047-40-3 | Pyridine, 4-methyl-2-nitro-, 1-oxide
CAS No: 100047-40-3 Catalog No: AG0000NL MDL No:
Product Description
Catalog Number:
AG0000NL
Chemical Name:
Pyridine, 4-methyl-2-nitro-, 1-oxide
CAS Number:
100047-40-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
4-methyl-2-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6N2O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3
InChI Key:
MRDNIKKJWQWEPC-UHFFFAOYSA-N
SMILES:
Cc1cc[n+](c(c1)[N+](=O)[O-])[O-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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