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153790-54-6

153790-54-6 structural image
Product Name: 2-AMINO-7,7-DIMETHYL-5-OXO-4-(2-THIENYL)-4,6,7,8-TETRAHYDRO2H-CHROMENE-3-CARBONITRILE
Formula: C16H16N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 300.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 300.09324893 g/mol
Monoisotopic Mass 300.09324893 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 609
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes