Cyclohexyl phenyl ketone - CAS 712-50-5
Catalog: |
BB034334 |
Product Name: |
Cyclohexyl phenyl ketone |
CAS: |
712-50-5 |
Synonyms: |
cyclohexyl(phenyl)methanone |
IUPAC Name: | cyclohexyl(phenyl)methanone |
Description: | Cyclohexyl phenyl ketone (CAS# 712-50-5) is a useful research chemical in organic synthesis. |
Molecular Weight: | 188.27 |
Molecular Formula: | C13H16O |
Canonical SMILES: | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
InChI Key: | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
Boiling Point: | 292.8 °C at 760 mmHg |
Melting Point: | 54-58 °C |
Purity: | 95 % |
Density: | 1.026 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00001467 |
LogP: | 3.44960 |
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PMID | Publication Date | Title | Journal |
29782964 | 20180915 | An in vitro approach for prioritization and evaluation of chemical effects on glucocorticoid receptor mediated adipogenesis | Toxicology and applied pharmacology |
22849715 | 20120817 | The role of acid catalysis in the Baeyer-Villiger reaction. A theoretical study | The Journal of organic chemistry |
16604225 | 20060421 | Asymmetric induction during electron transfer mediated photoreduction of carbonyl compounds: role of zeolites | Organic & biomolecular chemistry |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.12011513 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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