6-(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one;bromide


Chemical Name: 6-(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one;bromide
CAS Number: 73604-30-5
Product Number: AG005CNV(AGN-PC-0JPS2S)
Synonyms:
MDL No:
Molecular Formula: C21H20BrNO6
Molecular Weight: 462.2906

Identification/Properties


Computed Properties
Molecular Weight:
462.296g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
461.047g/mol
Monoisotopic Mass:
461.047g/mol
Topological Polar Surface Area:
63.2A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
655
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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