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500163-09-7 | Pyridinium, 4-(trans-5-decyl-1,3-dioxan-2-yl)-1-hexyl-, iodide
CAS No: 500163-09-7 Catalog No: AG006WSD MDL No:
Product Description
Catalog Number:
AG006WSD
Chemical Name:
Pyridinium, 4-(trans-5-decyl-1,3-dioxan-2-yl)-1-hexyl-, iodide
CAS Number:
500163-09-7
Molecular Formula:
C25H44INO2
Molecular Weight:
517.5268
IUPAC Name:
4-(5-decyl-1,3-dioxan-2-yl)-1-hexylpyridin-1-ium;iodide
InChI:
InChI=1S/C25H44NO2.HI/c1-3-5-7-9-10-11-12-13-15-23-21-27-25(28-22-23)24-16-19-26(20-17-24)18-14-8-6-4-2;/h16-17,19-20,23,25H,3-15,18,21-22H2,1-2H3;1H/q+1;/p-1
InChI Key:
FBFLWYPAPHFZDK-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[C@@H]1CO[C@H](OC1)c1cc[n+](cc1)CCCCCC.[I-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.242g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.536g/mol
Monoisotopic Mass:
517.242g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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