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89290-81-3 | Pyridinium, 2-[(decyloxy)methyl]-1-methyl-, iodide
CAS No: 89290-81-3 Catalog No: AG00414L MDL No:
Product Description
Catalog Number:
AG00414L
Chemical Name:
Pyridinium, 2-[(decyloxy)methyl]-1-methyl-, iodide
CAS Number:
89290-81-3
Molecular Formula:
C17H30INO
Molecular Weight:
391.3307
IUPAC Name:
2-(decoxymethyl)-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C17H30NO.HI/c1-3-4-5-6-7-8-9-12-15-19-16-17-13-10-11-14-18(17)2;/h10-11,13-14H,3-9,12,15-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
DRIILBIJGCQDOM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCOCc1cccc[n+]1C.[I-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.337g/mol
Monoisotopic Mass:
391.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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