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ACETO-D3-PHENONE

CAS No.:
17537-31-4
Catalog Number:
AG00AB06
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AB06
Chemical Name:
ACETO-D3-PHENONE
CAS Number:
17537-31-4
MDL Number:
MFCD00064445
IUPAC Name:
2,2,2-trideuterio-1-phenylethanone
InChI:
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
InChI Key:
KWOLFJPFCHCOCG-FIBGUPNXSA-N
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.076g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
123.169g/mol
Monoisotopic Mass:
123.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Room-temperature regioselective C-H/olefin coupling of aromatic ketones using an activated ruthenium catalyst with a carbonyl ligand and structural elucidation of key intermediates. Journal of the American Chemical Society 20101222
Structures of products from positive ion-molecule reactions by means of vibrational spectroscopy. European journal of mass spectrometry (Chichester, England) 20100101
Properties