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823-76-7 | 1-Cyclohexylethanone
CAS No: 823-76-7 Catalog No: AG0032R1 MDL No:MFCD00040418
Product Description
Catalog Number:
AG0032R1
Chemical Name:
1-Cyclohexylethanone
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 |
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