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1312077-05-6

1312077-05-6 structural image
Product Name: (3R)-2,3-Dihydro-3-(2-propyn-1-ylaMino)-1H-inden-1-one
Formula: C12H11NO
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COMPUTED DESCRIPTORS

Molecular Weight 185.22 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 185.084063974 g/mol
Monoisotopic Mass 185.084063974 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 275
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes