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89392-18-7 | 2-Hexanone, 1-(1H-imidazol-1-yl)-3,3,5,5-tetramethyl-
CAS No: 89392-18-7 Catalog No: AG003WB2 MDL No:
Product Description
Catalog Number:
AG003WB2
Chemical Name:
2-Hexanone, 1-(1H-imidazol-1-yl)-3,3,5,5-tetramethyl-
CAS Number:
89392-18-7
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
InChI:
InChI=1S/C13H22N2O/c1-12(2,3)9-13(4,5)11(16)8-15-7-6-14-10-15/h6-7,10H,8-9H2,1-5H3
InChI Key:
UBIKBHCJXHJVBU-UHFFFAOYSA-N
SMILES:
O=C(C(CC(C)(C)C)(C)C)Cn1cncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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