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827580-72-3 | 3-Azoniabicyclo[3.3.1]non-6-ene, 3,3,6-trimethyl-1,5-dinitro-, iodide
CAS No: 827580-72-3 Catalog No: AG004UDC MDL No:
Product Description
Catalog Number:
AG004UDC
Chemical Name:
3-Azoniabicyclo[3.3.1]non-6-ene, 3,3,6-trimethyl-1,5-dinitro-, iodide
CAS Number:
827580-72-3
Molecular Formula:
C11H18IN3O4
Molecular Weight:
383.1828
IUPAC Name:
3,3,6-trimethyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene;iodide
InChI:
InChI=1S/C11H18N3O4.HI/c1-9-4-5-10(12(15)16)6-11(9,13(17)18)8-14(2,3)7-10;/h4H,5-8H2,1-3H3;1H/q+1;/p-1
InChI Key:
WNVYQLDOZXCKQG-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)C12CC=C(C(C2)(C[N+](C1)(C)C)[N+](=O)[O-])C.[I-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.186g/mol
Monoisotopic Mass:
383.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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