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Home > Nitro Compounds > 1074-98-2
1074-98-2 | 4-Nitro-3-picoline N-oxide
CAS No: 1074-98-2 Catalog No: AG003LUU MDL No:MFCD00014626
Product Description
Catalog Number:
AG003LUU
Chemical Name:
4-Nitro-3-picoline N-oxide
CAS Number:
1074-98-2
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD00014626
IUPAC Name:
3-methyl-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3
InChI Key:
SSOURMYKACOBIV-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)C)N(=O)=O
EC Number:
214-050-8
UNII:
34OB5D19MK
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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