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Home > Imidazoles > 61985-28-2
61985-28-2 | 2-cyclohexanecarbonyl-1H-imidazole
CAS No: 61985-28-2 Catalog No: AG01AC16 MDL No:MFCD20671560
Product Description
Catalog Number:
AG01AC16
Chemical Name:
2-cyclohexanecarbonyl-1H-imidazole
CAS Number:
61985-28-2
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD20671560
IUPAC Name:
cyclohexyl(1H-imidazol-2-yl)methanone
InChI:
InChI=1S/C10H14N2O/c13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)
InChI Key:
XHRORDHYYBFCFC-UHFFFAOYSA-N
SMILES:
O=C(c1ncc[nH]1)C1CCCCC1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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