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Home > Pyridines > 145998-31-8
145998-31-8 | 1-{2-[(2,2-Diphenylacetyl)oxy]ethyl}-2,4,6-trimethylpyridin-1-ium perchlorate
CAS No: 145998-31-8 Catalog No: AG01EU74 MDL No:
Product Description
Catalog Number:
AG01EU74
Chemical Name:
1-{2-[(2,2-Diphenylacetyl)oxy]ethyl}-2,4,6-trimethylpyridin-1-ium perchlorate
CAS Number:
145998-31-8
Molecular Formula:
C24H26ClNO6
Molecular Weight:
459.9193
IUPAC Name:
2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate;perchlorate
InChI:
InChI=1S/C24H26NO2.ClHO4/c1-18-16-19(2)25(20(3)17-18)14-15-27-24(26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22;2-1(3,4)5/h4-13,16-17,23H,14-15H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZRRXMEGXQRKWLM-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=C(C(c1ccccc1)c1ccccc1)OCC[n+]1c(C)cc(cc1C)C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.145g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.923g/mol
Monoisotopic Mass:
459.145g/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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