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Home Other Building Blocks 1216459-54-9
1216459-54-9,MFCD28053509
Catalog No.:AA01E03W

1216459-54-9 | Ibuprofen-13C6

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
1 week  
$1,103.00   $772.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01E03W
Chemical Name:
Ibuprofen-13C6
CAS Number:
1216459-54-9
Molecular Formula:
C13H18O2
Molecular Weight:
212.2367
MDL Number:
MFCD28053509
SMILES:
CC(C[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(C(=O)O)C)C
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.5  

Literature
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Additional Info:
SDS
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Tags:1216459-54-9 Molecular Formula|1216459-54-9 MDL|1216459-54-9 SMILES|1216459-54-9 Ibuprofen-13C6