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Home Other Building Blocks Cyclohexyl methyl ketone

Cyclohexyl methyl ketone

CAS No.:
823-76-7
Catalog Number:
AG0032R1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$38
- +
25g
96%
In Stock USA
United States
$123
- +
100g
96%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0032R1
Chemical Name:
Cyclohexyl methyl ketone
CAS Number:
823-76-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00040418
IUPAC Name:
1-cyclohexylethanone
InChI:
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key:
RIFKADJTWUGDOV-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCCC1
EC Number:
212-517-0
UNII:
U53404H6B8
NSC Number:
16249
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
The role of acid catalysis in the Baeyer-Villiger reaction. A theoretical study. The Journal of organic chemistry 20120817
Cloning, expression and characterization of a eukaryotic cycloalkanone monooxygenase from Cylindrocarpon radicicola ATCC 11011. Applied microbiology and biotechnology 20120501
Simple in situ monitoring of a complex catalytic reaction network at high pressure by attenuated total reflection Fourier transform infrared spectroscopy. Applied spectroscopy 20100301
Computational study of the factors controlling enantioselectivity in ruthenium(II) hydrogenation catalysts. Inorganic chemistry 20080407
Properties