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Home > Imidazoles > 89838-98-2
89838-98-2 | Pentanoic acid, 5-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS No: 89838-98-2 Catalog No: AG003WW7 MDL No:
Product Description
Catalog Number:
AG003WW7
Chemical Name:
Pentanoic acid, 5-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS Number:
89838-98-2
Molecular Formula:
C26H24N2O3
Molecular Weight:
412.4804
IUPAC Name:
5-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid
InChI:
InChI=1S/C26H24N2O3/c29-23(30)18-10-11-19-31-26-27-24(20-12-4-1-5-13-20)25(21-14-6-2-7-15-21)28(26)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,29,30)
InChI Key:
ANNAWUMOXMGCJH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.489g/mol
Monoisotopic Mass:
412.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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