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199588-80-2 | Cinchonanium, 1-(9-anthracenylmethyl)-9-hydroxy-, chloride, (8α,9R)-
CAS No: 199588-80-2 Catalog No: AG002C6V MDL No:
Product Description
Catalog Number:
AG002C6V
Chemical Name:
Cinchonanium, 1-(9-anthracenylmethyl)-9-hydroxy-, chloride, (8α,9R)-
CAS Number:
199588-80-2
IUPAC Name:
[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride
InChI:
InChI=1S/C34H33N2O.ClH/c1-2-23-21-36(22-31-27-11-5-3-9-25(27)19-26-10-4-6-12-28(26)31)18-16-24(23)20-33(36)34(37)30-15-17-35-32-14-8-7-13-29(30)32;/h2-15,17,19,23-24,33-34,37H,1,16,18,20-22H2;1H/q+1;/p-1
InChI Key:
PICKZKQBJJCSSV-UHFFFAOYSA-M
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.228g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.101g/mol
Monoisotopic Mass:
520.228g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
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