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Home > Nitro Compounds > 78246-24-9
78246-24-9 | Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide
CAS No: 78246-24-9 Catalog No: AG0054AS MDL No:
Product Description
Catalog Number:
AG0054AS
Chemical Name:
Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide
CAS Number:
78246-24-9
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
3-(1-nitrosopyrrolidin-2-yl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C9H11N3O2/c13-10-12-6-2-4-9(12)8-3-1-5-11(14)7-8/h1,3,5,7,9H,2,4,6H2
InChI Key:
ZQELURDMDMQXQV-UHFFFAOYSA-N
SMILES:
O=NN1CCCC1c1ccc[n+](c1)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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