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307952-94-9 | Pyridinium, 1-hexyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-, iodide (1:1)
CAS No: 307952-94-9 Catalog No: AG0031AB MDL No:
Product Description
Catalog Number:
AG0031AB
Chemical Name:
Pyridinium, 1-hexyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-, iodide (1:1)
CAS Number:
307952-94-9
Molecular Formula:
C22H30INO3
Molecular Weight:
483.3830
IUPAC Name:
1-hexyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C22H30NO3.HI/c1-5-6-7-9-16-23-17-10-8-11-19(23)14-12-18-13-15-20(24-2)22(26-4)21(18)25-3;/h8,10-15,17H,5-7,9,16H2,1-4H3;1H/q+1;/p-1
InChI Key:
FCCUIPLIPUNHMZ-UHFFFAOYSA-M
SMILES:
CCCCCC[n+]1ccccc1C=Cc1ccc(c(c1OC)OC)OC.[I-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.39g/mol
Monoisotopic Mass:
483.127g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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