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148753-80-4 | Pyridinium, 1-[12-[(2-methyl-1-oxo-2-propen-1-yl)oxy]dodecyl]-, bromide (1:1)
CAS No: 148753-80-4 Catalog No: AG001L6U MDL No:
Product Description
Catalog Number:
AG001L6U
Chemical Name:
Pyridinium, 1-[12-[(2-methyl-1-oxo-2-propen-1-yl)oxy]dodecyl]-, bromide (1:1)
CAS Number:
148753-80-4
Molecular Formula:
C21H34BrNO2
Molecular Weight:
412.4042
IUPAC Name:
12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate;bromide
InChI:
InChI=1S/C21H34NO2.BrH/c1-20(2)21(23)24-19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22;/h11,13-14,17-18H,1,3-10,12,15-16,19H2,2H3;1H/q+1;/p-1
InChI Key:
NGRNLZCYRVFRFP-UHFFFAOYSA-M
SMILES:
O=C(C(=C)C)OCCCCCCCCCCCC[n+]1ccccc1.[Br-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.177g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.412g/mol
Monoisotopic Mass:
411.177g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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