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19901-15-6

19901-15-6 | Acetaldehyde-2,2,2-d3 (6CI,7CI,8CI,9CI)

CAS No: 19901-15-6 Catalog No: AG002BV9 MDL No:

Product Description

Catalog Number:
AG002BV9
Chemical Name:
Acetaldehyde-2,2,2-d3 (6CI,7CI,8CI,9CI)
CAS Number:
19901-15-6
Molecular Formula:
C2HD3O
Molecular Weight:
47.0710
IUPAC Name:
2,2,2-trideuterioacetaldehyde
InChI:
InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3
InChI Key:
IKHGUXGNUITLKF-FIBGUPNXSA-N
SMILES:
C([2H])(C=O)([2H])[2H]

Properties

Complexity:
10.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
47.045g/mol
Formal Charge:
0
Heavy Atom Count:
3  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
47.071g/mol
Monoisotopic Mass:
47.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Literature

Title Journal
Partial acetylation of lysine residues improves intraprotein cross-linking. Analytical chemistry 20080215
A quantitative study on the in vitro and in vivo acetylation of high mobility group A1 proteins. Journal of the American Society for Mass Spectrometry 20070901
Activation parameters for the reactive intermediates relevant to carbonylation catalysts based on cobalt carbonyls. Inorganic chemistry 20030127

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