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187879-48-7 | Quinoline, 2,2'-[1,4-phenylenebis(oxymethylene)]bis- (9CI)
CAS No: 187879-48-7 Catalog No: AG002GJU MDL No:
Product Description
Catalog Number:
AG002GJU
Chemical Name:
Quinoline, 2,2'-[1,4-phenylenebis(oxymethylene)]bis- (9CI)
CAS Number:
187879-48-7
Molecular Formula:
C26H20N2O2
Molecular Weight:
392.4492
IUPAC Name:
2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]quinoline
InChI:
InChI=1S/C26H20N2O2/c1-3-7-25-19(5-1)9-11-21(27-25)17-29-23-13-15-24(16-14-23)30-18-22-12-10-20-6-2-4-8-26(20)28-22/h1-16H,17-18H2
InChI Key:
AFZFCCFVKBTBTB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)COc1ccc(cc1)OCc1ccc2c(n1)cccc2
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.152g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.458g/mol
Monoisotopic Mass:
392.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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