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97813-49-5 | Pyridinium, 4-ethyl-1,2,6-trimethyl-3-nitro-, iodide
CAS No: 97813-49-5 Catalog No: AG00H7EH MDL No:
Product Description
Catalog Number:
AG00H7EH
Chemical Name:
Pyridinium, 4-ethyl-1,2,6-trimethyl-3-nitro-, iodide
CAS Number:
97813-49-5
Molecular Formula:
C10H15IN2O2
Molecular Weight:
322.1428
IUPAC Name:
4-ethyl-1,2,6-trimethyl-3-nitropyridin-1-ium;iodide
InChI:
InChI=1S/C10H15N2O2.HI/c1-5-9-6-7(2)11(4)8(3)10(9)12(13)14;/h6H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
LJSKNVMZAXIPDY-UHFFFAOYSA-M
SMILES:
CCc1cc(C)[n+](c(c1[N+](=O)[O-])C)C.[I-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.146g/mol
Monoisotopic Mass:
322.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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