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138224-69-8 | Pyridinium, 1-docosyl-4-[2-(4-hydroxyphenyl)ethenyl]-, bromide (1:1)
CAS No: 138224-69-8 Catalog No: AG0018CC MDL No:
Product Description
Catalog Number:
AG0018CC
Chemical Name:
Pyridinium, 1-docosyl-4-[2-(4-hydroxyphenyl)ethenyl]-, bromide (1:1)
CAS Number:
138224-69-8
Molecular Formula:
C35H56BrNO
Molecular Weight:
586.7292
IUPAC Name:
4-[2-(1-docosylpyridin-1-ium-4-yl)ethenyl]phenol;bromide
InChI:
InChI=1S/C35H55NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-36-31-28-34(29-32-36)23-22-33-24-26-35(37)27-25-33;/h22-29,31-32H,2-21,30H2,1H3;1H
InChI Key:
UMFHSVIHWZOGQK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=Cc1ccc(cc1)O.[Br-]
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.355g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
586.743g/mol
Monoisotopic Mass:
585.355g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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