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72046-65-2 | Pyridinium, 5-ethenyl-2-methyl-1-[2-(octyloxy)-2-oxoethyl]-, bromide
CAS No: 72046-65-2 Catalog No: AG005DH6 MDL No:
Product Description
Catalog Number:
AG005DH6
Chemical Name:
Pyridinium, 5-ethenyl-2-methyl-1-[2-(octyloxy)-2-oxoethyl]-, bromide
CAS Number:
72046-65-2
Molecular Formula:
C18H28BrNO2
Molecular Weight:
370.3244
IUPAC Name:
octyl 2-(5-ethenyl-2-methylpyridin-1-ium-1-yl)acetate;bromide
InChI:
InChI=1S/C18H28NO2.BrH/c1-4-6-7-8-9-10-13-21-18(20)15-19-14-17(5-2)12-11-16(19)3;/h5,11-12,14H,2,4,6-10,13,15H2,1,3H3;1H/q+1;/p-1
InChI Key:
YIYUIWPRVUEWFK-UHFFFAOYSA-M
SMILES:
CCCCCCCCOC(=O)C[n+]1cc(C=C)ccc1C.[Br-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.331g/mol
Monoisotopic Mass:
369.13g/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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