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Home > Pyridines > 203389-24-6
203389-24-6 | Pyridinium, 1-butyl-, nitrate (1:1)
CAS No: 203389-24-6 Catalog No: AG0028UI MDL No:
Product Description
Catalog Number:
AG0028UI
Chemical Name:
Pyridinium, 1-butyl-, nitrate (1:1)
CAS Number:
203389-24-6
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
1-butylpyridin-1-ium;nitrate
InChI:
InChI=1S/C9H14N.NO3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
InChI Key:
LESUBZNRBDUXOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCC[n+]1ccccc1
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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