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189640-37-7

189640-37-7 structural image
Product Name: 2-CYANO-5-METHYL-2-(3-METHYLBUT-2-ENYL)HEX-4-ENOIC ACID
Formula: C13H19NO2
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COMPUTED DESCRIPTORS

Molecular Weight 221.29 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 221.141578849 g/mol
Monoisotopic Mass 221.141578849 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 341
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes