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679789-44-7
Catalog No.:AA00FD9V

679789-44-7 | rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
3 weeks  
$562.00   $393.00
- +
10mg
3 weeks  
$3,190.00   $2,233.00
- +
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Technical Information
Catalog Number:
AA00FD9V
Chemical Name:
rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4
CAS Number:
679789-44-7
Molecular Formula:
C16H16D4O5
Molecular Weight:
296.3516
SMILES:
CCC(COC(=O)c1c([2H])c([2H])c(c(c1C(=O)O)[2H])[2H])CCC(=O)C
Properties
Computed Properties
 
Complexity:
377  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2  

Literature
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Additional Info:
SDS
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Tags:679789-44-7 Molecular Formula|679789-44-7 MDL|679789-44-7 SMILES|679789-44-7 rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4