Home Other Building Blocks Acetic-2,2,2-d3 acid, ethyl-1,1,2,2,2-d5 ester

Acetic-2,2,2-d3 acid, ethyl-1,1,2,2,2-d5 ester

CAS No.:
117121-81-0
Catalog Number:
AG000DS6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG000DS6
Chemical Name:
Acetic-2,2,2-d3 acid, ethyl-1,1,2,2,2-d5 ester
CAS Number:
117121-81-0
MDL Number:
MFCD00190440
IUPAC Name:
1,1,2,2,2-pentadeuterioethyl 2,2,2-trideuterioacetate
InChI:
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i1D3,2D3,3D2
InChI Key:
XEKOWRVHYACXOJ-AUOAYUKBSA-N
Properties
Complexity:
49.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.103g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8  
Molecular Weight:
96.155g/mol
Monoisotopic Mass:
96.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties