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48203-86-7 | Pyridinium,4-ethenyl-1-hexadecyl-, bromide (1:1)
CAS No: 48203-86-7 Catalog No: AG006WYP MDL No:
Product Description
Catalog Number:
AG006WYP
Chemical Name:
Pyridinium,4-ethenyl-1-hexadecyl-, bromide (1:1)
CAS Number:
48203-86-7
Molecular Formula:
C23H40N+
Molecular Weight:
330.5704
IUPAC Name:
4-ethenyl-1-hexadecylpyridin-1-ium;bromide
InChI:
InChI=1S/C23H40N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23(4-2)19-22-24;/h4,18-19,21-22H,2-3,5-17,20H2,1H3;1H/q+1;/p-1
InChI Key:
SHKJPLSMOIRNPI-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.234g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.484g/mol
Monoisotopic Mass:
409.234g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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