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123334-01-0 | Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt, hydrate (1:?)
CAS No: 123334-01-0 Catalog No: AG000KDE MDL No:
Product Description
Catalog Number:
AG000KDE
Chemical Name:
Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt, hydrate (1:?)
CAS Number:
123334-01-0
IUPAC Name:
4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate;hydrate
InChI:
InChI=1S/C29H21NO.H2O/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;/h1-21H;1H2
InChI Key:
HQSBVGMHCCDFTK-UHFFFAOYSA-N
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.508g/mol
Monoisotopic Mass:
417.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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