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Home > Pyridines > 113404-15-2
113404-15-2 | Pyridinium, 1-[2-(hydroxymethyl)phenyl]-2,4,6-triphenyl-, chloride (1:1)
CAS No: 113404-15-2 Catalog No: AG0008G9 MDL No:
Product Description
Catalog Number:
AG0008G9
Chemical Name:
Pyridinium, 1-[2-(hydroxymethyl)phenyl]-2,4,6-triphenyl-, chloride (1:1)
CAS Number:
113404-15-2
Molecular Formula:
C30H24ClNO
Molecular Weight:
449.9707
IUPAC Name:
[2-(2,4,6-triphenylpyridin-1-ium-1-yl)phenyl]methanol;chloride
InChI:
InChI=1S/C30H24NO.ClH/c32-22-26-18-10-11-19-28(26)31-29(24-14-6-2-7-15-24)20-27(23-12-4-1-5-13-23)21-30(31)25-16-8-3-9-17-25;/h1-21,32H,22H2;1H/q+1;/p-1
InChI Key:
ISNBVOJOHOWWRT-UHFFFAOYSA-M
SMILES:
OCc1ccccc1[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.155g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.978g/mol
Monoisotopic Mass:
449.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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