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180923-81-3

180923-81-3 structural image
Product Name: 3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
Formula: C14H17NO3
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COMPUTED DESCRIPTORS

Molecular Weight 247.29 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 247.12084340 g/mol
Monoisotopic Mass 247.12084340 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 342
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes