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Home > Imidazoles > 89839-00-9
89839-00-9 | Heptanoic acid, 7-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS No: 89839-00-9 Catalog No: AG003Z22 MDL No:
Product Description
Catalog Number:
AG003Z22
Chemical Name:
Heptanoic acid, 7-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-
CAS Number:
89839-00-9
Molecular Formula:
C28H28N2O3
Molecular Weight:
440.5335
IUPAC Name:
7-(1,4,5-triphenylimidazol-2-yl)oxyheptanoic acid
InChI:
InChI=1S/C28H28N2O3/c31-25(32)20-12-1-2-13-21-33-28-29-26(22-14-6-3-7-15-22)27(23-16-8-4-9-17-23)30(28)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H,31,32)
InChI Key:
VUUAPLHTNQCAJS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.543g/mol
Monoisotopic Mass:
440.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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