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824432-19-1 | Pyridinium, 1-[8-(benzoyloxy)octyl]-, iodide
CAS No: 824432-19-1 Catalog No: AG004VZJ MDL No:
Product Description
Catalog Number:
AG004VZJ
Chemical Name:
Pyridinium, 1-[8-(benzoyloxy)octyl]-, iodide
CAS Number:
824432-19-1
Molecular Formula:
C20H26INO2
Molecular Weight:
439.3304
IUPAC Name:
8-pyridin-1-ium-1-yloctyl benzoate;iodide
InChI:
InChI=1S/C20H26NO2.HI/c22-20(19-13-7-5-8-14-19)23-18-12-4-2-1-3-9-15-21-16-10-6-11-17-21;/h5-8,10-11,13-14,16-17H,1-4,9,12,15,18H2;1H/q+1;/p-1
InChI Key:
TWTWCRHDKAKBSQ-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
11
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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