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Home Other Building Blocks 2,2-DIMETHYLPROPIOPHENONE

2,2-DIMETHYLPROPIOPHENONE

CAS No.:
938-16-9
Catalog Number:
AG003F7F
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
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Product Description
Catalog Number:
AG003F7F
Chemical Name:
2,2-DIMETHYLPROPIOPHENONE
CAS Number:
938-16-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00008844
IUPAC Name:
2,2-dimethyl-1-phenylpropan-1-one
InChI:
InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
OECPUBRNDKXFDX-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1ccccc1
EC Number:
213-338-0
UNII:
96BA178UNX
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Effects of alkyl groups in the rate determining step of the Baeyer-Villiger reaction of phenyl alkyl ketones: a quantum chemistry study. The journal of physical chemistry. A 20120726
Rapid ketone transfer hydrogenation by employing simple, in situ prepared iridium(I) precatalysts supported by 'non-N--H' P,N ligands. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage. The Journal of organic chemistry 20070427
New Ru complexes containing the N-tridentate bpea and phosphine ligands: consequences of meridional vs facial geometry. Inorganic chemistry 20061225
A RuH(2)(CO)(PPh(3))(3)-catalyzed regioselective arylation of aromatic ketones with arylboronates via carbon-hydrogen bond cleavage. Journal of the American Chemical Society 20050427
Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation. Journal of the American Chemical Society 20050302
Properties