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100940-60-1,MFCD00064452
Catalog No.:AA00036O
100940-60-1 | Acetic-13C2 acid, 2-(diethoxyphosphinyl)-, ethyl ester
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100mg
1 week  
$1,304.00   $913.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00036O
Chemical Name:
Acetic-13C2 acid, 2-(diethoxyphosphinyl)-, ethyl ester
CAS Number:
100940-60-1
Molecular Formula:
C8H17O5P
Molecular Weight:
226.1767
MDL Number:
MFCD00064452
IUPAC Name:
ethyl 2-diethoxyphosphorylacetate
InChI:
InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i7+1,8+1
InChI Key:
GGUBFICZYGKNTD-BFGUONQLSA-N
SMILES:
CCO[13C](=O)[13CH2]P(=O)(OCC)OCC
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2  
Molecular Weight:
226.177g/mol
Monoisotopic Mass:
226.088g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
Triethyl phosphonoacetate-13C2 
100940-60-1 
Triethyl phosphonoacetate 
CID10911236 
82426-28-6 
CTK8G3598 
DTXSID50448099 
AKOS015915629 
FT-0642441 
C-25503 
Triethyl phosphonoacetate-13C2, 99 atom % 13C 
J-000285 
I14-54195 
Literature
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