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Home > Nitro Compounds > 5470-66-6
5470-66-6 | 4-Nitro-2-Picoline N-Oxide
CAS No: 5470-66-6 Catalog No: AG003LUO MDL No:MFCD00014625
Product Description
Catalog Number:
AG003LUO
Chemical Name:
4-Nitro-2-Picoline N-Oxide
CAS Number:
5470-66-6
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD00014625
IUPAC Name:
2-methyl-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3
InChI Key:
FTTIAVRPJGCXAC-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc[n+](c(c1)C)[O-]
NSC Number:
27962
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:
0.1
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