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Home Amines 5678-47-7
5678-47-7,MFCD00472612
Catalog No.:AA00EAAC

5678-47-7 | 3-Amino-3-(3-nitrophenyl)propanoic acid

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1g
97%
in stock  
$79.00   $55.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00EAAC
Chemical Name:
3-Amino-3-(3-nitrophenyl)propanoic acid
CAS Number:
5678-47-7
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD00472612
SMILES:
OC(=O)CC(c1cccc(c1)[N+](=O)[O-])N
NSC Number:
40724
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-2.1  

Literature

Title: 2-Carb-oxy-1-(3-nitro-phen-yl)ethanaminium perchlorate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: 2-Carb-oxy-1-(3-nitro-phen-yl)ethanaminium perchlorate.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

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SDS
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