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866149-18-0,MFCD04126390
Catalog No.:AA00IZ43

866149-18-0 | 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid

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Technical Information
Catalog Number:
AA00IZ43
Chemical Name:
2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
CAS Number:
866149-18-0
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
MDL Number:
MFCD04126390
SMILES:
OC(=O)C(n1nc(n(c1=O)c1ccc(cc1)C)C)C
Properties
Computed Properties
 
Complexity:
413  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

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SDS
Tags:866149-18-0 Molecular Formula|866149-18-0 MDL|866149-18-0 SMILES|866149-18-0 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid