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Home > Nitro Compounds > 4808-64-4
4808-64-4 | Pyridine, 2,6-dimethyl-4-nitro-, 1-oxide
CAS No: 4808-64-4 Catalog No: AG006Y0E MDL No:MFCD00023406
Product Description
Catalog Number:
AG006Y0E
Chemical Name:
Pyridine, 2,6-dimethyl-4-nitro-, 1-oxide
CAS Number:
4808-64-4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00023406
IUPAC Name:
2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H8N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3
InChI Key:
LFPUGENPUAERSG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)[n+](c(c1)C)[O-]
NSC Number:
5094
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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