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Home > Imidazoles > 89372-46-3
89372-46-3 | 1H-Imidazole, 1-[2-[(4-ethoxyphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-46-3 Catalog No: AG003X44 MDL No:
Product Description
Catalog Number:
AG003X44
Chemical Name:
1H-Imidazole, 1-[2-[(4-ethoxyphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-46-3
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
2-[(4-ethoxyphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C18H24N2O2/c1-5-22-15-8-6-14(7-9-15)12-16(18(2,3)4)17(21)20-11-10-19-13-20/h6-11,13,16H,5,12H2,1-4H3
InChI Key:
NWTJXHRASLKMOX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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