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15935-54-3,MFCD08063737
Catalog No.:AA001QK8

15935-54-3 | Benzeneacetic acid, 4-(2-carboxypropyl)-α-methyl-

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1mg
≥98% (mixture of diastereomers)
in stock  
$165.00   $115.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001QK8
Chemical Name:
Benzeneacetic acid, 4-(2-carboxypropyl)-α-methyl-
CAS Number:
15935-54-3
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD08063737
SMILES:
OC(=O)C(Cc1ccc(cc1)C(C(=O)O)C)C
Properties
Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.2  

Literature

Title: LC-MS-MS determination of ibuprofen, 2-hydroxyibuprofen enantiomers, and carboxyibuprofen stereoisomers for application in biotransformation studies employing endophytic fungi.

Journal: Analytical and bioanalytical chemistry 20110101

Title: Behaviour of pharmaceutical products and biodegradation intermediates in horizontal subsurface flow constructed wetland. A microcosm experiment.

Journal: The Science of the total environment 20080501

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SDS
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Tags:15935-54-3 Molecular Formula|15935-54-3 MDL|15935-54-3 SMILES|15935-54-3 Benzeneacetic acid, 4-(2-carboxypropyl)-α-methyl-