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69821-55-2 | 1-(3-Hydroxypropyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CAS No: 69821-55-2 Catalog No: AG01EX0H MDL No:
Product Description
Catalog Number:
AG01EX0H
Chemical Name:
1-(3-Hydroxypropyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CAS Number:
69821-55-2
Molecular Formula:
C26H24ClNO5
Molecular Weight:
465.9255
IUPAC Name:
3-(2,4,6-triphenylpyridin-1-ium-1-yl)propan-1-ol;perchlorate
InChI:
InChI=1S/C26H24NO.ClHO4/c28-18-10-17-27-25(22-13-6-2-7-14-22)19-24(21-11-4-1-5-12-21)20-26(27)23-15-8-3-9-16-23;2-1(3,4)5/h1-9,11-16,19-20,28H,10,17-18H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GBHDKLSPNCGFEV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.OCCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.134g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.93g/mol
Monoisotopic Mass:
465.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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