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6082-86-6,MFCD00020519
Catalog No.:AA00IAOI

6082-86-6 | 3-[3-(2-Carboxyethyl)phenyl]propanoic acid

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IAOI
Chemical Name:
3-[3-(2-Carboxyethyl)phenyl]propanoic acid
CAS Number:
6082-86-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00020519
SMILES:
OC(=O)CCc1cccc(c1)CCC(=O)O
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
1.6  

Literature

Title: Expanding the scope of C-H amination through catalyst design.

Journal: Journal of the American Chemical Society 20041201

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SDS
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Tags:6082-86-6 Molecular Formula|6082-86-6 MDL|6082-86-6 SMILES|6082-86-6 3-[3-(2-Carboxyethyl)phenyl]propanoic acid