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824432-10-2 | Pyridinium, 1-[6-[(2R)-1-oxo-2-phenylpropoxy]hexyl]-, iodide
CAS No: 824432-10-2 Catalog No: AG0059KI MDL No:
Product Description
Catalog Number:
AG0059KI
Chemical Name:
Pyridinium, 1-[6-[(2R)-1-oxo-2-phenylpropoxy]hexyl]-, iodide
CAS Number:
824432-10-2
Molecular Formula:
C20H26INO2
Molecular Weight:
439.3304
IUPAC Name:
6-pyridin-1-ium-1-ylhexyl (2R)-2-phenylpropanoate;iodide
InChI:
InChI=1S/C20H26NO2.HI/c1-18(19-12-6-4-7-13-19)20(22)23-17-11-3-2-8-14-21-15-9-5-10-16-21;/h4-7,9-10,12-13,15-16,18H,2-3,8,11,14,17H2,1H3;1H/q+1;/p-1/t18-;/m1./s1
InChI Key:
QBOSAFJSYAPASE-GMUIIQOCSA-M
SMILES:
O=C([C@@H](c1ccccc1)C)OCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.337g/mol
Monoisotopic Mass:
439.101g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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