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Home > Imidazoles > 89838-99-3
89838-99-3 | Hexanoic acid, 6-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS No: 89838-99-3 Catalog No: AG003XLV MDL No:
Product Description
Catalog Number:
AG003XLV
Chemical Name:
Hexanoic acid, 6-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS Number:
89838-99-3
Molecular Formula:
C27H26N2O3
Molecular Weight:
426.5069
IUPAC Name:
6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoic acid
InChI:
InChI=1S/C27H26N2O3/c30-24(31)19-11-4-12-20-32-27-28-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)29(27)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,30,31)
InChI Key:
TUVHAQBFXQPBJV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.194g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.516g/mol
Monoisotopic Mass:
426.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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