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Home > Imidazoles > 67565-05-3
67565-05-3 | 3-Pentanone, 1-(1H-imidazol-1-yl)-4,4-dimethyl-1-phenyl-
CAS No: 67565-05-3 Catalog No: AG005ZLH MDL No:
Product Description
Catalog Number:
AG005ZLH
Chemical Name:
3-Pentanone, 1-(1H-imidazol-1-yl)-4,4-dimethyl-1-phenyl-
CAS Number:
67565-05-3
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
1-imidazol-1-yl-4,4-dimethyl-1-phenylpentan-3-one
InChI:
InChI=1S/C16H20N2O/c1-16(2,3)15(19)11-14(18-10-9-17-12-18)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3
InChI Key:
LYNKVJIERCRMRE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC(n1cncc1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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