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Home > Imidazoles > 864684-76-4
864684-76-4 | 1-[4-(2,2-DIMETHOXY-ETHOXY)-PHENYL]-1H-IMIDAZOLE
CAS No: 864684-76-4 Catalog No: AG004MZM MDL No:
Product Description
Catalog Number:
AG004MZM
Chemical Name:
1-[4-(2,2-DIMETHOXY-ETHOXY)-PHENYL]-1H-IMIDAZOLE
CAS Number:
864684-76-4
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
1-[4-(2,2-dimethoxyethoxy)phenyl]imidazole
InChI:
InChI=1S/C13H16N2O3/c1-16-13(17-2)9-18-12-5-3-11(4-6-12)15-8-7-14-10-15/h3-8,10,13H,9H2,1-2H3
InChI Key:
OKYWTEIGXFRPQB-UHFFFAOYSA-N
SMILES:
COC(COc1ccc(cc1)n1cncc1)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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