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Home > Other Heterocycles > 119752-83-9
119752-83-9 | 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-disulfino-, bis(inner salt)
CAS No: 119752-83-9 Catalog No: AG000PLR MDL No:MFCD22377802
Product Description
Catalog Number:
AG000PLR
Chemical Name:
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-disulfino-, bis(inner salt)
CAS Number:
119752-83-9
Molecular Formula:
C6H12N2O4S2
Molecular Weight:
240.3005
MDL Number:
MFCD22377802
IUPAC Name:
1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
InChI:
InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2
InChI Key:
RWISEVUOFYXWFO-UHFFFAOYSA-N
SMILES:
[O-]S(=O)[N+]12CC[N+](CC1)(CC2)S(=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.292g/mol
Monoisotopic Mass:
240.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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