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1052611-53-6

1052611-53-6 structural image
Product Name: 5-(METHOXYCARBONYL)-1,5-DIMETHYL-2-[2-(TRIFLUOROMETHYL)PHENYL]-3-PYRROLIDINECARBOXYLIC ACID
Formula: C16H18F3NO4
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COMPUTED DESCRIPTORS

Molecular Weight 345.31 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 345.11879254 g/mol
Monoisotopic Mass 345.11879254 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 510
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes