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80097-15-0,MFCD28383790
Catalog No.:AA005D99

80097-15-0 | 1-Methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

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Technical Information
Catalog Number:
AA005D99
Chemical Name:
1-Methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
CAS Number:
80097-15-0
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
MDL Number:
MFCD28383790
SMILES:
Cn1cc(C(=O)O)c(=O)c(c1)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
522  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.8  

Literature
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SDS
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Tags:80097-15-0 Molecular Formula|80097-15-0 MDL|80097-15-0 SMILES|80097-15-0 1-Methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid