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69821-59-6 | 1-(2-Hydroxypropyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CAS No: 69821-59-6 Catalog No: AG01EX0J MDL No:
Product Description
Catalog Number:
AG01EX0J
Chemical Name:
1-(2-Hydroxypropyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CAS Number:
69821-59-6
Molecular Formula:
C26H24ClNO5
Molecular Weight:
465.9255
IUPAC Name:
1-(2,4,6-triphenylpyridin-1-ium-1-yl)propan-2-ol;perchlorate
InChI:
InChI=1S/C26H24NO.ClHO4/c1-20(28)19-27-25(22-13-7-3-8-14-22)17-24(21-11-5-2-6-12-21)18-26(27)23-15-9-4-10-16-23;2-1(3,4)5/h2-18,20,28H,19H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DZDGVNQEPCRKFB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC(C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)O
Properties
Complexity:
515
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:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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