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Home Other Building Blocks 3-Phenyl-cyclohexanone

3-Phenyl-cyclohexanone

CAS No.:
20795-53-3
Catalog Number:
AG002JDO
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$88
- +
1g
96%
In Stock USA
United States
$263
- +
5g
96%
In Stock USA
United States
$850
- +
10g
96%
In Stock USA
United States
$1288
- +
Product Description
Catalog Number:
AG002JDO
Chemical Name:
3-Phenyl-cyclohexanone
CAS Number:
20795-53-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD00209998
IUPAC Name:
3-phenylcyclohexan-1-one
InChI:
InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChI Key:
CJAUDSQXFVZPTO-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ccccc1
NSC Number:
119037
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Comparing the enantioselective power of steric and electrostatic effects in transition-metal-catalyzed asymmetric synthesis. Chemistry (Weinheim an der Bergstrasse, Germany) 20101227
A new chiral di-N-heterocyclic carbene (NHC) cyclophane ligand and its application in palladium enantioselective catalysis. Dalton transactions (Cambridge, England : 2003) 20100728
Facile preparation of a new BINAP-based building block, 5,5'-diiodoBINAP, and its synthetic application. The Journal of organic chemistry 20051125
Highly enantioselective conjugate additions of potassium organotrifluoroborates to enones by use of monodentate phosphoramidite ligands. The Journal of organic chemistry 20041112
Properties