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69821-48-3 | 1-[2-(Acetyloxy)ethyl]-2,4,6-triphenylpyridin-1-ium perchlorate
CAS No: 69821-48-3 Catalog No: AG01EX0G MDL No:
Product Description
Catalog Number:
AG01EX0G
Chemical Name:
1-[2-(Acetyloxy)ethyl]-2,4,6-triphenylpyridin-1-ium perchlorate
CAS Number:
69821-48-3
Molecular Formula:
C27H24ClNO6
Molecular Weight:
493.9356
IUPAC Name:
2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl acetate;perchlorate
InChI:
InChI=1S/C27H24NO2.ClHO4/c1-21(29)30-18-17-28-26(23-13-7-3-8-14-23)19-25(22-11-5-2-6-12-22)20-27(28)24-15-9-4-10-16-24;2-1(3,4)5/h2-16,19-20H,17-18H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JUHSDNYICHTYGG-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC(=O)OCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.129g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.94g/mol
Monoisotopic Mass:
493.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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