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Home > Nitro Compounds > 1124-33-0
1124-33-0 | 4-Nitropyridine N-Oxide
CAS No: 1124-33-0 Catalog No: AG003LWN MDL No:MFCD00006206
Product Description
Catalog Number:
AG003LWN
Chemical Name:
4-Nitropyridine N-Oxide
CAS Number:
1124-33-0
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD00006206
IUPAC Name:
4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChI Key:
RXKNNAKAVAHBNK-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc[n+](cc1)[O-]
EC Number:
214-395-4
UNII:
ULB29Z652D
NSC Number:
5079
UN Number:
2811
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| A characterization study on 2,6-dimethyl-4-nitropyridine N-oxide by density functional theory calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
| DNA double-strand break repair in parental chromatin of mouse zygotes, the first cell cycle as an origin of de novo mutation. | Human molecular genetics 20080701 |
| Chemopreventive effect of fermented brown rice and rice bran on 4-nitroquinoline 1-oxide-induced oral carcinogenesis in rats. | Oncology reports 20070401 |
| Well-known quorum sensing inhibitors do not affect bacterial quorum sensing-regulated bean sprout spoilage. | Journal of applied microbiology 20070301 |
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