(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;iodide


Chemical Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;iodide
CAS Number: 873295-32-0
Product Number: AG008E9H(AGN-PC-00CNCR)
Synonyms:
MDL No: MFCD09952213
Molecular Formula: C19H28INO3
Molecular Weight: 445.3350

Identification/Properties


Computed Properties
Molecular Weight:
445.341g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
445.111g/mol
Monoisotopic Mass:
445.111g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
424
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


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