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38632-50-7 | 5-Nitroquinolin-1-ium nitrate
CAS No: 38632-50-7 Catalog No: AG01FF7V MDL No:
Product Description
Catalog Number:
AG01FF7V
Chemical Name:
5-Nitroquinolin-1-ium nitrate
CAS Number:
38632-50-7
Molecular Formula:
C9H7N3O5
Molecular Weight:
237.1690
IUPAC Name:
nitric acid;5-nitroquinoline
InChI:
InChI=1S/C9H6N2O2.HNO3/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8;2-1(3)4/h1-6H;(H,2,3,4)
InChI Key:
WMKCWVBGEZSEMC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ccc[nH+]2.[O-][N+](=O)[O-]
NSC Number:
163931
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.171g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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