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89372-58-7 | 1-(1h-imidazol-1-yl)-3,3-dimethyl-2-(3-methylbenzyl)butan-1-one
CAS No: 89372-58-7 Catalog No: AG003XBR MDL No:
Product Description
Catalog Number:
AG003XBR
Chemical Name:
1-(1h-imidazol-1-yl)-3,3-dimethyl-2-(3-methylbenzyl)butan-1-one
CAS Number:
89372-58-7
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[(3-methylphenyl)methyl]butan-1-one
InChI:
InChI=1S/C17H22N2O/c1-13-6-5-7-14(10-13)11-15(17(2,3)4)16(20)19-9-8-18-12-19/h5-10,12,15H,11H2,1-4H3
InChI Key:
KWWGAIZRNHIQJO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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