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Home > Imidazoles > 186292-98-8
186292-98-8 | Cyclohexanone, 4-(1H-imidazol-4-yl)-
CAS No: 186292-98-8 Catalog No: AG007SCK MDL No:
Product Description
Catalog Number:
AG007SCK
Chemical Name:
Cyclohexanone, 4-(1H-imidazol-4-yl)-
CAS Number:
186292-98-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
4-(1H-imidazol-5-yl)cyclohexan-1-one
InChI:
InChI=1S/C9H12N2O/c12-8-3-1-7(2-4-8)9-5-10-6-11-9/h5-7H,1-4H2,(H,10,11)
InChI Key:
XHRVFFXICWLWFP-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)c1nc[nH]c1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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