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AB52162

562803-69-4 | 3-(Pyrimidin-2-ylmethyl)benzoic acid

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Description
Catalog Number: AB52162
Chemical Name: 3-(Pyrimidin-2-ylmethyl)benzoic acid
CAS Number: 562803-69-4
Molecular Formula: C12H10N2O2
Molecular Weight: 214.2200
MDL Number: MFCD18826004
SMILES: OC(=O)c1cccc(c1)Cc1ncccn1

 

Computed Properties
Complexity: 239  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 1.7  

 

 

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