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24667-07-0 | 3-Pyridinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-
CAS No: 24667-07-0 Catalog No: AG002OZV MDL No:
Product Description
Catalog Number:
AG002OZV
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-
CAS Number:
24667-07-0
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c1-3-2-4(8(9,10)11)5(7(14)15)6(13)12-3/h2H,1H3,(H,12,13)(H,14,15)
InChI Key:
UNSSLBNWWBBLEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cc([nH]c1=O)C)C(F)(F)F
NSC Number:
71057
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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