2,6-Diphenylcyclohexanone, mixture of cis and trans - CAS 37904-84-0
Catalog: |
BB023460 |
Product Name: |
2,6-Diphenylcyclohexanone, mixture of cis and trans |
CAS: |
37904-84-0 |
Synonyms: |
2,6-diphenylcyclohexan-1-one |
IUPAC Name: | 2,6-diphenylcyclohexan-1-one |
Description: | 2,6-Diphenylcyclohexanone, mixture of cis and trans (CAS# 37904-84-0 ) is a useful research chemical. |
Molecular Weight: | 250.33 |
Molecular Formula: | C18H18O |
Canonical SMILES: | C1CC(C(=O)C(C1)C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H18O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2 |
InChI Key: | JHMUMWBKYPMOLI-UHFFFAOYSA-N |
Boiling Point: | 405.3 ℃ at 760 mmHg |
Density: | 1.082 g/cm3 |
Appearance: | White to yellow powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD00192105 |
LogP: | 4.30700 |
Publication Number | Title | Priority Date |
CN-111233599-A | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 20200207 |
CN-111233599-B | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 20200207 |
CN-109232149-B | Synthetic method of alpha-fluoro-alpha-substituted ketone with fluorine-containing quaternary carbon central structure | 20180813 |
EP-2986613-A1 | Rigid dinitroxide biradical compounds used as improved polarising agents for dynamic nuclear polarisation techniques | 20130415 |
EP-2986613-B1 | Rigid dinitroxide biradical compounds used as improved polarising agents for dynamic nuclear polarisation techniques | 20130415 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.135765193 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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