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28173-47-9 | trimethyl-[2-[(Z)-3-(2-trimethylammonioethoxycarbonyl)prop-2-enoyl]oxy ethyl]azanium diiodide
CAS No: 28173-47-9 Catalog No: AG00CETJ MDL No:
Product Description
Catalog Number:
AG00CETJ
Chemical Name:
trimethyl-[2-[(Z)-3-(2-trimethylammonioethoxycarbonyl)prop-2-enoyl]oxy ethyl]azanium diiodide
CAS Number:
28173-47-9
IUPAC Name:
trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]but-2-enoyl]oxyethyl]azanium;diiodide
InChI:
InChI=1S/C14H28N2O4.2HI/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-8H,9-12H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
UCTSUCNPHOPEPQ-UHFFFAOYSA-L
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.014g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.197g/mol
Monoisotopic Mass:
542.014g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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