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827580-71-2 | 3-Azoniabicyclo[3.3.1]non-6-ene, 3,3-dimethyl-1,5-dinitro-, iodide
CAS No: 827580-71-2 Catalog No: AG004UDD MDL No:
Product Description
Catalog Number:
AG004UDD
Chemical Name:
3-Azoniabicyclo[3.3.1]non-6-ene, 3,3-dimethyl-1,5-dinitro-, iodide
CAS Number:
827580-71-2
Molecular Formula:
C10H16IN3O4
Molecular Weight:
369.1562
IUPAC Name:
3,3-dimethyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene;iodide
InChI:
InChI=1S/C10H16N3O4.HI/c1-13(2)7-9(11(14)15)4-3-5-10(6-9,8-13)12(16)17;/h3-4H,5-8H2,1-2H3;1H/q+1;/p-1
InChI Key:
SRJNUYBLWHNKFC-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)C12CC=CC(C2)(C[N+](C1)(C)C)[N+](=O)[O-].[I-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.159g/mol
Monoisotopic Mass:
369.019g/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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