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Home > Imidazoles > 89372-61-2
89372-61-2 | 1-(1h-imidazol-1-yl)-2-(3-methoxybenzyl)-3,3-dimethylbutan-1-one
CAS No: 89372-61-2 Catalog No: AG003YV9 MDL No:
Product Description
Catalog Number:
AG003YV9
Chemical Name:
1-(1h-imidazol-1-yl)-2-(3-methoxybenzyl)-3,3-dimethylbutan-1-one
CAS Number:
89372-61-2
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
1-imidazol-1-yl-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C17H22N2O2/c1-17(2,3)15(16(20)19-9-8-18-12-19)11-13-6-5-7-14(10-13)21-4/h5-10,12,15H,11H2,1-4H3
InChI Key:
WHBFPDLPXHXMNM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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