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67565-06-4 | 3-Pentanone, 1-(1H-imidazol-1-yl)-4,4-dimethyl-1-(4-methylphenyl)-
CAS No: 67565-06-4 Catalog No: AG005MJF MDL No:
Product Description
Catalog Number:
AG005MJF
Chemical Name:
3-Pentanone, 1-(1H-imidazol-1-yl)-4,4-dimethyl-1-(4-methylphenyl)-
CAS Number:
67565-06-4
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
1-imidazol-1-yl-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one
InChI:
InChI=1S/C17H22N2O/c1-13-5-7-14(8-6-13)15(19-10-9-18-12-19)11-16(20)17(2,3)4/h5-10,12,15H,11H2,1-4H3
InChI Key:
XDWNXDWOXUSPSY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(n1cncc1)CC(=O)C(C)(C)C
Properties
Complexity:
326
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:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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