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Home Other Building Blocks 49653-15-8
49653-15-8,MFCD06205264
Catalog No.:AA00DLLR

49653-15-8 | (E)-3-(1H-pyrrol-2-yl)acrylic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA00DLLR
Chemical Name:
(E)-3-(1H-pyrrol-2-yl)acrylic acid
CAS Number:
49653-15-8
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD06205264
SMILES:
OC(=O)C=Cc1ccc[nH]1
Properties
Computed Properties
 
Complexity:
154  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.7  

Literature

Title: Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).

Journal: Bioorganic & medicinal chemistry letters 20110501

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